CAS RN: 1185256-03-4
2-Desethoxy-2-hydroxy-2H-2-ethyl Candesartan Cilexetil
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185256-03-4
- Purity/Analytical Methods: >99.0%
1185256-03-4 / 1-cyclohexyloxycarbonyloxyethyl 3-[[4-[2-(2-ethyltetrazol-5-yl)phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate
2-Desethoxy-2-hydroxy-2H-2-ethyl Candesartan Cilexetil | Candesartan Cilexetil EP Impurity D | 2-Desethoxy-2-oxo-2H-2-ethyl candesartan cilexetil
Basic Information
CAS
1185256-03-4
Multi CAS
No
Molecular Formula
C33H34N6O6
Molecular Weight
610.700000
Exact Mass
610.253983
SMILES
CCN1N=C(N=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C=CC=C5NC4=O)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI
InChI=1S/C33H34N6O6/c1-3-39-36-30(35-37-39)26-13-8-7-12-25(26)23-18-16-22(17-19-23)20-38-29-27(14-9-15-28(29)34-32(38)41)31(40)43-21(2)44-33(42)45-24-10-5-4-6-11-24/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,34,41)
InChIKey
KORFUGQWQJEFIY-UHFFFAOYSA-N
Synonyms
2-Desethoxy-2-hydroxy-2H-2-ethyl Candesartan Cilexetil
Candesartan Cilexetil EP Impurity D
2-Desethoxy-2-oxo-2H-2-ethyl candesartan cilexetil
1-cyclohexyloxycarbonyloxyethyl 3-[[4-[2-(2-ethyltetrazol-5-yl)phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate
01TN699E2L
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
26
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
1
Molar refractivity
165.34
TPSA
143.22
LogP / Solubility
WLOGP
5.71
MLOGP
5.07
XLogP3
6.5
Consensus LogP
5.76
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
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)
-2.39
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
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