Febuxostat 67M-1
TL;DR: Febuxostat 67M-1 (CAS 887945-96-2) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: Febuxostat 67M-1, Febuxostat (67m-1), 3-Hydroxyfebuxostat, (+/-)-, (+/-)-3-hydroxyfebuxostat, 3-Hydroxyfebuxostat (67M-1)
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.6956 |
| Topological Polar Surface Area | 103.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 763.9261 |
Chemical Identifiers
| CAS Number | 887945-96-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)CO)C#N)C(=O)O |
Product Overview
Febuxostat 67M-1 (CAS 887945-96-2), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 2-[3-cyano-4-(3-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of Febuxostat 67M-1
Property Insights of Febuxostat 67M-1
The XLogP value of 2.6956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Febuxostat 67M-1. The TPSA of 103.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Febuxostat 67M-1. Following Lipinski's Rule of Five, Febuxostat 67M-1 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 Febuxostat 67M-1?
The CAS number of Febuxostat 67M-1 is 887945-96-2.
What is the molecular formula of Febuxostat 67M-1?
The molecular formula of Febuxostat 67M-1 is C16H16N2O4S.
What is the molecular weight of Febuxostat 67M-1?
The molecular weight of Febuxostat 67M-1 is 332.08 g/mol.
Where can I buy Febuxostat 67M-1?
You can request a quote for Febuxostat 67M-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Febuxostat 67M-1?
Yes, KEHONG BIO provides custom synthesis services for Febuxostat 67M-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.