厄贝沙坦
TL;DR: 厄贝沙坦 (CAS 138402-11-6) is a chemical compound with molecular formula C25H28N6O and molecular weight 428.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
厄贝沙坦
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
Also Known As: irbesartan, Avapro, Aprovel, Karvea, Irbesartan BMS
| Molecular Formula | C25H28N6O |
|---|---|
| Molecular Weight | 428.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.23245 |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
| Melting Point | 180-181 °C |
| Boiling Point | 648.6 |
| Solubility | <1mg/mL |
Chemical Identifiers
| CAS Number | 138402-11-6 |
|---|---|
| SMILES | CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 |
| InChIKey | YOSHYTLCDANDAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
厄贝沙坦 (CAS 138402-11-6), with molecular formula C25H28N6O and molecular weight 428.23 g/mol. IUPAC: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one.
Chemical Property Profile of 厄贝沙坦
Property Insights of 厄贝沙坦
The XLogP value of 4.1 indicates that 厄贝沙坦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 厄贝沙坦. Following Lipinski's Rule of Five, 厄贝沙坦 has 1 hydrogen bond donor(s) and 5 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 厄贝沙坦?
The CAS number of 厄贝沙坦 is 138402-11-6.
What is the molecular formula of 厄贝沙坦?
The molecular formula of 厄贝沙坦 is C25H28N6O.
What is the molecular weight of 厄贝沙坦?
The molecular weight of 厄贝沙坦 is 428.23 g/mol.
Where can I buy 厄贝沙坦?
You can request a quote for 厄贝沙坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 厄贝沙坦?
Yes, KEHONG BIO provides custom synthesis services for 厄贝沙坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.