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CAS 88768-40-5 Cilazapril molecular structure lightbox
CAS RN: 88768-40-5

Cilazapril

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88768-40-5
  • Purity/Analytical Methods: >99.0%
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88768-40-5 / 7-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid

Standard CAS: 88768-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88768-40-5
Multi CAS
Yes
Molecular Formula
C22H31N3O5
Molecular Weight
417.500000
Exact Mass
417.226371
InChI
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
InChIKey
HHHKFGXWKKUNCY-FHWLQOOXSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
110.42
TPSA
99.18

LogP / Solubility

WLOGP
1.6
MLOGP
1.43
XLogP3
0.6
Consensus LogP
1.21
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-4.13

Drug-likeness / Medicinal Chemistry

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

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