3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
TL;DR: 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid (CAS 76838-73-8) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
Also Known As: N-Butyldiethanolamine, 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-5-carboxylic acid, 3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid, 2-(3-chlorophenoxy)aniline, 3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 0.8297 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 563.6859 |
Chemical Identifiers
| CAS Number | 76838-73-8 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)C(=O)O)OC1=O |
Product Overview
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid (CAS 76838-73-8), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid.
Chemical Property Profile of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
Property Insights of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid
The XLogP value of 0.8297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-Methyl-2-oxo-2,3-dihydro-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 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
The CAS number of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid is 76838-73-8.
What is the molecular formula of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
The molecular formula of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid is C9H7NO4.
What is the molecular weight of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
The molecular weight of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid is 193.04 g/mol.
Where can I buy 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
You can request a quote for 3-Methyl-2-oxo-2,3-dihydro-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 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.