![3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid structure](/static/products/839/839694-63-2.png)
3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
TL;DR: 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid (CAS 839694-63-2) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
Also Known As: 3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid, 3-(2-(3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetamido)benzoic acid, 3-{[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]amino}benzoic acid, 3-[[2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl)acetyl]amino]benzoic Acid
| Molecular Formula | C17H14N2O5 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.7489 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09027 |
| Heavy Atoms | 24 |
| Complexity | 818.1331 |
Chemical Identifiers
| CAS Number | 839694-63-2 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid (CAS 839694-63-2), with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol. IUPAC: 3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
Property Insights of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
The XLogP value of 1.7489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]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 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid?
The CAS number of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid is 839694-63-2.
What is the molecular formula of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid?
The molecular formula of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid is C17H14N2O5.
What is the molecular weight of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid?
The molecular weight of 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid is 326.09 g/mol.
Where can I buy 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid?
You can request a quote for 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(3-Oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.