Abitesartan
TL;DR: Abitesartan (CAS 137882-98-5) is a chemical compound with molecular formula C26H31N5O3 and molecular weight 461.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid
Also Known As: Abitesartan, Abitesartan [INN], abitesartanum, TISARTAN, ABITESARTAN [WHO-DD]
| Molecular Formula | C26H31N5O3 |
|---|---|
| Molecular Weight | 461.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.24268 |
| Heavy Atoms | 34 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 137882-98-5 |
|---|---|
| SMILES | CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)CC4(CCCC4)C(=O)O |
| InChIKey | ZUMPSVPHCDJCMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Abitesartan (CAS 137882-98-5), with molecular formula C26H31N5O3 and molecular weight 461.24 g/mol. IUPAC: 1-[[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]methyl]cyclopentane-1-carboxylic acid.
Chemical Property Profile of Abitesartan
Property Insights of Abitesartan
The XLogP value of 4.4 indicates that Abitesartan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Abitesartan. Following Lipinski's Rule of Five, Abitesartan has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abitesartan?
The CAS number of Abitesartan is 137882-98-5.
What is the molecular formula of Abitesartan?
The molecular formula of Abitesartan is C26H31N5O3.
What is the molecular weight of Abitesartan?
The molecular weight of Abitesartan is 461.24 g/mol.
Where can I buy Abitesartan?
You can request a quote for Abitesartan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abitesartan?
Yes, KEHONG BIO provides custom synthesis services for Abitesartan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.