Cas no 130793-27-0 (N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester)

N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester structure
130793-27-0 structure
Product Name:N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
CAS No:130793-27-0
MF:C29H53NO5
MW:495.73482966423
CID:834912
PubChem ID:14607529
Update Time:2025-07-23

N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester Chemical and Physical Properties

Names and Identifiers

    • Orlistat Related Compound D
    • N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
    • N-Formyl-L-leucine (3S,4R,6S)-3-Hexyl-3,4,5,6-tetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
    • N-Formyl-L-leucine (3S,4R,6S)-3-hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl ester
    • Orlistat USP RC D
    • N-Formyl-L-leucine (3S,4R,6S)-tetrahydro-3-hexyl-2-oxo-6-undecyl-2H-pyran-4-yl ester
    • 3S-(3α,4β,6β)]-N-ForMyl-L-leucine 3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
    • Orlistat Related Compound D (10 mg) (N-formyl-L-leucine (3S,4R,6S)-3-hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl ester)
    • Orlistat Related Compound D (10 mg) (N-formyl-L-leucine (3S,4R,6S)-tetrahydro-3-hexyl-2-oxo-6-undecyl-2H-pyran-4-yl ester)
    • Q27255717
    • 2WU82B0SW1
    • 3-Hexyl-2-oxo-6-undecyltetrahydro-2H-pyran-4-yl 2-formamido-4-methylpentanoate, (S)-(3S,4R,6S)-
    • [(3S,4R,6S)-3-hexyl-2-oxo-6-undecyloxan-4-yl] (2S)-2-formamido-4-methylpentanoate
    • UNII-2WU82B0SW1
    • SCHEMBL537927
    • 130793-27-0
    • L-Leucine, N-formyl-, (3S,4R,6S)-3-hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl ester
    • L-Leucine, N-formyl-, (3S,4R,6S)-3-hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl ester; L-Leucine, N-formyl-, 3-hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl ester, [3S-(3a,4ss,6ss)]-; Orlistat Related Compound D (USP)
    • Inchi： 1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27+/m0/s1
    • InChI Key： IYWNIYFHQZQPBP-YIPNQBBMSA-N
    • SMILES： O1C([C@@H](CCCCCC)[C@@H](C[C@@H]1CCCCCCCCCCC)OC([C@H](CC(C)C)NC=O)=O)=O

Computed Properties

  • Exact Mass: 495.39237379g/mol
  • Monoisotopic Mass: 495.39237379g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 21
  • Complexity: 579
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10
  • Topological Polar Surface Area: 81.7?2

Experimental Properties

  • Density: 0.99±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: N/A
  • Solubility: Insuluble (2.8E-5 g/L) (25 oC),

N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester Security Information

N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
F700570-2.5mg
N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester
 130793-27-0
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Orlistat Related Compound D
 130793-27-0 United States Pharmacopeia (USP) Reference Standard
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Orlistat Related Compound D (10 mg) (N-formyl-L-leucine (3S,4R,6S)-tetrahydro-3-hexyl-2-oxo-6-undecyl-2H-pyran-4-yl ester)
 130793-27-0
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Orlistat Related Compound D (10 mg) (N-formyl-L-leucine (3S,4R,6S)-tetrahydro-3-hexyl-2-oxo-6-undecyl-2H-pyran-4-yl ester)
 130793-27-0
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N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester Related Literature

Additional information on N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester

Comprehensive Analysis of N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester (CAS No. 130793-27-0)

The compound N-Formyl-L-leucine (3S,4R,6S)-3-Hexyltetrahydro-2-oxo-6-undecyl-2H-pyran-4-yl Ester (CAS No. 130793-27-0) is a specialized ester derivative of L-leucine, a branched-chain amino acid (BCAA) with significant relevance in biochemical and pharmaceutical research. This molecule combines the structural features of N-formyl-L-leucine with a complex pyran-based ester moiety, making it a subject of interest in drug discovery, peptide synthesis, and metabolic studies. Its unique chiral centers at the 3S, 4R, and 6S positions contribute to its stereospecific interactions, a critical factor in modern enantioselective catalysis and bioactive compound design.

In recent years, the demand for customized amino acid derivatives like N-Formyl-L-leucine esters has surged due to their applications in peptide-based therapeutics and prodrug development. Researchers are particularly intrigued by its potential to enhance drug bioavailability and targeted delivery, aligning with the growing focus on precision medicine. The compound’s lipophilic hexyl and undecyl chains may improve membrane permeability, a hot topic in blood-brain barrier (BBB) penetration studies for neurological drugs.

The synthesis of CAS No. 130793-27-0 involves multi-step organic reactions, including esterification and chiral resolution, often discussed in forums on green chemistry and sustainable synthesis. Its tetrahydro-2H-pyran core is structurally analogous to bioactive natural products, sparking interest in natural product mimicry for antibiotic development—a trending subject amid rising antimicrobial resistance (AMR) concerns.

Analytical characterization of this compound typically employs HPLC, NMR, and mass spectrometry, with users frequently searching for spectral data interpretation and purity validation methods. Its stability under physiological conditions is another key research area, especially for oral drug formulation enthusiasts exploring pH-sensitive degradation.

From an industrial perspective, N-Formyl-L-leucine derivatives are gaining traction in cosmeceuticals for their potential skin-penetrating properties, coinciding with the booming anti-aging skincare market. The ester’s controlled release mechanism also aligns with searches for sustained-release technologies in topical applications.

In conclusion, CAS No. 130793-27-0 represents a versatile scaffold bridging amino acid chemistry and complex heterocycles. Its intersection with trending topics like personalized therapeutics, sustainable synthesis, and advanced drug delivery ensures its continued relevance in both academic and industrial settings.

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