![2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid structure](/static/products/2651/26513-80-4.webp)
2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid
TL;DR: 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid (CAS 26513-80-4) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzoic acid
Also Known As: 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid, 2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzoic acid, 8771AD, 2-[ CARBONYL]BENZENECARBOXYLICACID, 2-[(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-carbonyl]benzenecarboxylic acid
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 1.9467 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 796.8732 |
Chemical Identifiers
| CAS Number | 26513-80-4 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid (CAS 26513-80-4), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: 2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzoic acid.
Chemical Property Profile of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid
Property Insights of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid
The XLogP value of 1.9467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic 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 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid?
The CAS number of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid is 26513-80-4.
What is the molecular formula of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid?
The molecular formula of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid is C16H11NO5.
What is the molecular weight of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid?
The molecular weight of 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid is 297.06 g/mol.
Where can I buy 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid?
You can request a quote for 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.