![3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid structure](/static/products/847/847176-87-8.png)
3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid
TL;DR: 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid (CAS 847176-87-8) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-acetamido-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid
Also Known As: 3-(6-acetamido-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid, 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid, 3-(6-acetamido-2H-benzo[e][1,3]oxazin-3(4H)-yl)benzoic acid, 3-(3-acetamido-7-oxa-9-azabicyclo[4.4.0]deca-2,4,11-trien-9-yl)benzoic Acid
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.6997 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 772.9387 |
Chemical Identifiers
| CAS Number | 847176-87-8 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)OCN(C2)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid (CAS 847176-87-8), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: 3-(6-acetamido-2,4-dihydro-1,3-benzoxazin-3-yl)benzoic acid.
Chemical Property Profile of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid
Property Insights of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid
The XLogP value of 2.6997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]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-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid?
The CAS number of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid is 847176-87-8.
What is the molecular formula of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid?
The molecular formula of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid is C17H16N2O4.
What is the molecular weight of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid?
The molecular weight of 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid is 312.11 g/mol.
Where can I buy 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid?
You can request a quote for 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]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-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[6-(acetylamino)-2H-1,3-benzoxazin-3(4H)-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.