![CAS 748812-53-5 IRBESARTAN RELATED COMPOUND A (25 MG) (1-PENTANOYLAMINO-CYCLOPENTANECARBOXYLIC ACID [2′-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-AMIDE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/748812-53-5.gif)
CAS RN: 748812-53-5
IRBESARTAN RELATED COMPOUND A (25 MG) (1-PENTANOYLAMINO-CYCLOPENTANECARBOXYLIC ACID [2′-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-AMIDE)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250402 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS748812-53-5
- Purity/Analytical Methods: >99.0%
748812-53-5 / 1-(pentanoylamino)-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]cyclopentane-1-carboxamide
Basic Information
CAS
748812-53-5
Multi CAS
No
Molecular Formula
C25H30N6O2
Molecular Weight
446.500000
Exact Mass
446.243024
InChI
InChI=1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKey
PAKGYCNZUGIDHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
125.76
TPSA
112.66
LogP / Solubility
WLOGP
3.77
MLOGP
3.35
XLogP3
3.6
Consensus LogP
3.57
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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