CAS RN: 149968-26-3
Elisartan
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.20251001 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149968-26-3
- Purity/Analytical Methods: >99.0%
149968-26-3 / 1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
Basic Information
CAS
149968-26-3
Multi CAS
No
Molecular Formula
C27H29ClN6O5
Molecular Weight
553.000000
Exact Mass
552.188796
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC(C)OC(=O)OCC)Cl
InChI
InChI=1S/C27H29ClN6O5/c1-4-6-11-22-29-24(28)23(26(35)38-17(3)39-27(36)37-5-2)34(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-30-32-33-31-25/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,30,31,32,33)
InChIKey
IDAWWPOAHPVPMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
22
Fraction Csp3
0.33
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
1
Molar refractivity
142.99
TPSA
134.11
LogP / Solubility
WLOGP
5.45
MLOGP
4.84
XLogP3
6.5
Consensus LogP
5.6
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-8.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
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)
-2.22
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
5
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