6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
TL;DR: 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid (CAS 425399-13-9) is a chemical compound with molecular formula C9H6ClNO4 and molecular weight 227.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
Also Known As: BIM-0007212.P001, AB00102183-01, 6-chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid, 6-chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid, 6-chloro-3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxylic acid
| Molecular Formula | C9H6ClNO4 |
|---|---|
| Molecular Weight | 227.00 g/mol |
| LogP | 1.4831 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.99854 |
| Heavy Atoms | 15 |
| Complexity | 610.33527 |
Chemical Identifiers
| CAS Number | 425399-13-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C(=C2)C(=O)O)Cl)OC1=O |
Product Overview
6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid (CAS 425399-13-9), with molecular formula C9H6ClNO4 and molecular weight 227.00 g/mol. IUPAC: 6-chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid.
Chemical Property Profile of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
Property Insights of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
The XLogP value of 1.4831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The CAS number of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid is 425399-13-9.
What is the molecular formula of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The molecular formula of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid is C9H6ClNO4.
What is the molecular weight of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
The molecular weight of 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid is 227.00 g/mol.
Where can I buy 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
You can request a quote for 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.