[email protected]
CAS 869631-11-8 O-Desethyl Candesartan Cilexetil molecular structure lightbox
CAS RN: 869631-11-8

O-Desethyl Candesartan Cilexetil

Product Availability

Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS869631-11-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

869631-11-8 / 1-cyclohexyloxycarbonyloxyethyl 2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-benzimidazole-4-carboxylate

Standard CAS: 869631-11-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
869631-11-8
Multi CAS
Yes
Molecular Formula
C31H30N6O6
Molecular Weight
582.600000
Exact Mass
582.222683
InChI
InChI=1S/C31H30N6O6/c1-19(42-31(40)43-22-8-3-2-4-9-22)41-29(38)25-12-7-13-26-27(25)37(30(39)32-26)18-20-14-16-21(17-15-20)23-10-5-6-11-24(23)28-33-35-36-34-28/h5-7,10-17,19,22H,2-4,8-9,18H2,1H3,(H,32,39)(H,33,34,35,36)
InChIKey
UEJMFQHOVKQHHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
26
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
156.03
TPSA
154.08

LogP / Solubility

WLOGP
5.21
MLOGP
4.63
XLogP3
5.6
Consensus LogP
5.15
Log S (ESOL)
-6.66
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us