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CAS 1132650-67-9 Lisinopril Cyclohexyl Analog molecular structure lightbox
CAS RN: 1132650-67-9

Lisinopril Cyclohexyl Analog

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1132650-67-9
  • Purity/Analytical Methods: >99.0%
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1132650-67-9 / (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-cyclohexylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

C21H37N3O5 | MFCD21363659 | 1-[6-amino-2-[(1-carboxy-3-cyclohexyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 1132650-67-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1132650-67-9
Multi CAS
Yes
Molecular Formula
C21H37N3O5
Molecular Weight
411.500000
Exact Mass
411.273321
SMILES
C1CCC(CC1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C21H37N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h15-18,23H,1-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
InChIKey
QYSKCMYFYQRFSL-BZSNNMDCSA-N
Synonyms
C21H37N3O5 MFCD21363659 1-[6-amino-2-[(1-carboxy-3-cyclohexyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.86
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
4
Molar refractivity
109.43
TPSA
132.96

LogP / Solubility

WLOGP
1.96
MLOGP
1.75
XLogP3
-1.7
Consensus LogP
0.67
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501

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