Irbesartan
TL;DR: Irbesartan (CAS 138402-11-6) is a chemical compound with molecular formula C25H28N6O and molecular weight 428.23245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H28N6O |
| Molecular Weight | 428.23245 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.23245 Da |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
| Melting Point | 180-181 °C |
| Boiling Point | 648.6 |
| Solubility | <1mg/mL |
| SMILES | CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 |
| InChIKey | YOSHYTLCDANDAN-UHFFFAOYSA-N |
Chemical Property Profile of Irbesartan
Property Insights of Irbesartan
The XLogP value of 4.1 indicates that Irbesartan 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 Irbesartan. Following Lipinski's Rule of Five, Irbesartan 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
What is the CAS number of Irbesartan?
The CAS number of Irbesartan is 138402-11-6.
What is the molecular formula of Irbesartan?
The molecular formula of Irbesartan is C25H28N6O.
What is the molecular weight of Irbesartan?
The molecular weight of Irbesartan is 428.23245 g/mol.
Where can I buy Irbesartan?
You can request a quote for Irbesartan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Irbesartan?
Yes, CoreyChem provides custom synthesis services for Irbesartan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.