3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
TL;DR: 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid (CAS 134997-87-8) 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-oxo-4H-1,4-benzoxazine-6-carboxylic acid
Also Known As: 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid, 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLIC ACID, 3-oxo-4H-1,4-benzoxazine-6-carboxylic acid, ZERO/005343, 2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3-oxo-
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 134997-87-8 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)O |
| InChIKey | CIYUDMUBYRVMLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid (CAS 134997-87-8), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 3-oxo-4H-1,4-benzoxazine-6-carboxylic acid.
Chemical Property Profile of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Property Insights of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid. Following Lipinski's Rule of Five, 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid?
The CAS number of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid is 134997-87-8.
What is the molecular formula of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid?
The molecular formula of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid is C9H7NO4.
What is the molecular weight of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid?
The molecular weight of 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid is 193.04 g/mol.
Where can I buy 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid?
You can request a quote for 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-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-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.