CAS RN: 180603-77-4
Candesartan Acyl-Glucuronide
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.20250718 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS180603-77-4
- Purity/Analytical Methods: >99.0%
180603-77-4 / (2S,3S,4S,5R,6S)-6-[2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
180603-77-4
Multi CAS
No
Molecular Formula
C30H28N6O9
Molecular Weight
616.600000
Exact Mass
616.191776
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChI
InChI=1S/C30H28N6O9/c1-2-43-30-31-20-9-5-8-19(28(42)45-29-24(39)22(37)23(38)25(44-29)27(40)41)21(20)36(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-34-35-33-26/h3-13,22-25,29,37-39H,2,14H2,1H3,(H,40,41)(H,32,33,34,35)/t22-,23-,24+,25-,29-/m0/s1
InChIKey
IQMPSFXZXNRDMY-GMQKQUAPSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
26
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
5
Molar refractivity
154.79
TPSA
215.03
LogP / Solubility
WLOGP
1.38
MLOGP
1.26
XLogP3
2.5
Consensus LogP
1.71
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
Customers Also Viewed
-
-
1H-Pyrrole-2,5-dione, 1-(5-hydroxypentyl)
- CAS RN: 180608-78-0
- Product Code: starshine_CAS180608-78-0
- Purity/Analytical method: >99.0%
-
-
-
-
