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CAS 108313-11-7 Ramipril Related Compound A (30 mg) ((2S,3aS,6aS)-1-[(S)2-[[(S)-1-(methoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid) molecular structure lightbox
CAS RN: 108313-11-7

Ramipril Related Compound A (30 mg) ((2S,3aS,6aS)-1-[(S)2-[[(S)-1-(methoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS108313-11-7
  • Purity/Analytical Methods: >99.0%
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108313-11-7 / (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-methoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid

Ramipril Methyl Ester | UNII-QKQ7F3PK42 | QKQ7F3PK42

Standard CAS: 108313-11-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108313-11-7
Multi CAS
Yes
Molecular Formula
C22H30N2O5
Molecular Weight
402.500000
Exact Mass
402.215472
SMILES
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C22H30N2O5/c1-14(20(25)24-18-10-6-9-16(18)13-19(24)21(26)27)23-17(22(28)29-2)12-11-15-7-4-3-5-8-15/h3-5,7-8,14,16-19,23H,6,9-13H2,1-2H3,(H,26,27)/t14-,16-,17-,18-,19-/m0/s1
InChIKey
DBAQBRAQKYAQEO-GBBGEASQSA-N
Synonyms
Ramipril Methyl Ester UNII-QKQ7F3PK42 QKQ7F3PK42 Ramipril specified impurity A [EP] (2S,3aS,6aS)-1-((S)2-(((S)1-(Methoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-octahydrocyclopenta(b)pyrrole-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.18
TPSA
95.94

LogP / Solubility

WLOGP
1.99
MLOGP
1.78
XLogP3
1
Consensus LogP
1.59
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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