Cas no 629652-44-4 ((1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester)

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester structure
629652-44-4 structure
Product Name:(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester
CAS No:629652-44-4
MF:C22H19ClN2O5
MW:426.849664926529
CID:428011
PubChem ID:11122795
Update Time:2025-04-19

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methylester, (1R,3S)-
    • (1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
    • (1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carb
    • (1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl ...
    • (1R,3S)-1-benzo[1,3]dioxol-5-yl-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl ester
    • Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
    • DTXSID901106806
    • SCHEMBL3482666
    • Z3489603503
    • CS-0166247
    • rac-methyl (1R,3S)-1-(1,3-dioxaindan-5-yl)-2-(2-chloroacetyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
    • 629652-44-4
    • 629652-33-1
    • Methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
    • (1R,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate? (Tadalafil Impurity
    • EN300-7426405
    • (1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester
    • Inchi： 1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21+/m0/s1
    • InChI Key： JUKHNCNDFOAFLT-HRAATJIYSA-N
    • SMILES： ClCC(N1[C@H](C(=O)OC)CC2C3C=CC=CC=3NC=2[C@H]1C1=CC=C2C(=C1)OCO2)=O

Computed Properties

  • Exact Mass: 426.0982494g/mol
  • Monoisotopic Mass: 426.0982494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 678
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 80.9?2

Experimental Properties

  • Melting Point: >190°C (dec.)
  • Solubility: DMSO, Methanol (Sparingly)

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester Security Information

  • Storage Condition：Refrigerator

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B200000-10mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
 629652-44-4
10mg
 $ 184.00 2023-04-19
TRC
B200000-100mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
 629652-44-4
100mg
 $ 1453.00 2023-04-19
Biosynth
EAB65244-5 mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
 629652-44-4
5mg
 $179.05 2023-01-05
Biosynth
EAB65244-10 mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
 629652-44-4
10mg
 $286.40 2023-01-05
Biosynth
EAB65244-25 mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
 629652-44-4
25mg
 $537.00 2023-01-05
Biosynth
EAB65244-50 mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
 629652-44-4
50mg
 $859.50 2023-01-05
Biosynth
EAB65244-100 mg
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
 629652-44-4
100MG
 $1,375.00 2023-01-05

(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester Related Literature

Related Categories

629652-44-4 ((1R,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido3,4-bindole-3-carboxylic Acid Methyl Ester) Related Products

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