Cas no 402474-20-8 (Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)-)

Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)- structure
402474-20-8 structure
Product Name:Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)-
CAS No:402474-20-8
MF:C12H24ClNO2
MW:249.77746295929
CID:325856
PubChem ID:16218419
Update Time:2025-11-02

Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)-
    • (+)-ETHYL (S)-2-AMINO-4-CYCLOHEXYLBUTYRATE HYDROCHLORIDE
    • (S)-ETHYL 2-AMINO-4-CYCLOHEXYLBUTYRATE HYDROCHLORIDE
    • S(+)-2-AMINO-4-CYCLOHEXYLBUTTERSRE-ETH
    • Ethyl (2S)-2-amino-4-cyclohexyl-butanoate hydrochloride
    • (S)-Ethyl2-amino-4-cyclohexylbutanoatehydrochloride
    • (S)-Ethyl 2-amino-4-cyclohexylbutanoate hydrochloride
    • CRA82502
    • F79114
    • ethyl (2S)-2-amino-4-cyclohexylbutanoate;hydrochloride
    • (+)-Ethyl(S)-2-amino-4-cyclohexylbutyrate hydrochloride
    • Ethyl 2-amino-4-cyclohexylbutanoate--hydrogen chloride (1/1)
    • Ethyl (S)-alpha-Amino-cyclohexanebutanoate HCl
    • AKOS017343936
    • TS-00774
    • Ethyl (S)-2-amino-4-cyclohexylbutanoate hydrochloride
    • DTXSID00960650
    • Ethyl (2S)-2-Amino-4-cyclohexylbutanoate hydrochloride
    • GPPVARHUGJVMMH-MERQFXBCSA-N
    • MFCD03095495
    • SCHEMBL4798841
    • CS-0361329
    • 402474-20-8
    • (+)-Ethyl-(S)-2-amino-4-cyclohexylbutyrate hydrochloride
    • MDL: MFCD03095495
    • Inchi: 1S/C12H23NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h10-11H,2-9,13H2,1H3;1H/t11-;/m0./s1
    • InChI Key: GPPVARHUGJVMMH-MERQFXBCSA-N
    • SMILES: Cl.O(CC)C([C@H](CCC1CCCCC1)N)=O

Computed Properties

  • Exact Mass: 249.15000
  • Monoisotopic Mass: 249.149557
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 188
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3

Experimental Properties

  • PSA: 52.32000
  • LogP: 3.73960

Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)- Security Information

  • WGK Germany:3

Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)- Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)- Pricemore >>

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Additional information on Cyclohexanebutanoicacid, a-amino-, ethyl ester,hydrochloride (1:1), (aS)-

Comprehensive Overview of Cyclohexanebutanoic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αS)- (CAS No. 402474-20-8)

The compound Cyclohexanebutanoic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αS)- (CAS No. 402474-20-8) is a chiral derivative of cyclohexanebutanoic acid, featuring an ethyl ester and an α-amino group in its structure. This hydrochloride salt form is widely utilized in pharmaceutical research and organic synthesis due to its stereospecificity and potential bioactivity. The (αS) configuration indicates its enantiomeric purity, making it valuable for asymmetric synthesis and drug development. Researchers often explore its role in modulating biological pathways or as a building block for complex molecules.

In recent years, the demand for enantiomerically pure compounds like Cyclohexanebutanoic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αS)- has surged, driven by advancements in chiral drug design and green chemistry. Users frequently search for "chiral building blocks in drug discovery" or "stereoselective synthesis techniques," reflecting industry trends toward precision medicine. The compound’s ethyl ester moiety enhances solubility, a critical factor in formulation studies, while its hydrochloride salt form improves stability—key considerations for pharmaceutical applications.

The synthesis of CAS No. 402474-20-8 typically involves multi-step reactions, including esterification and resolution of enantiomers. Analytical techniques such as HPLC and NMR are employed to confirm its purity and stereochemistry. Notably, its structural features align with growing interest in "sustainable synthetic methods" and "biocompatible intermediates," topics dominating academic and industrial forums. Its potential as a precursor for bioactive molecules further elevates its relevance in medicinal chemistry.

From an SEO perspective, integrating keywords like "chiral compounds for pharmaceuticals" or "high-purity amino acid derivatives" can enhance visibility. The compound’s versatility also intersects with trending queries such as "role of enantiopure compounds in APIs" (Active Pharmaceutical Ingredients). As regulatory standards tighten, the importance of rigorously characterized compounds like Cyclohexanebutanoic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αS)- will continue to rise, positioning it as a focal point in cutting-edge research.

In summary, CAS No. 402474-20-8 exemplifies the intersection of synthetic chemistry and pharmaceutical innovation. Its chiral integrity, functional groups, and salt form cater to diverse applications—from drug development to material science. By addressing user queries on "advanced synthetic intermediates" and "stereochemistry in drug design," this overview bridges scientific rigor with industry demands, ensuring both readability and technical depth.

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