2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
TL;DR: 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid (CAS 76752-11-9) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Also Known As: 6-Benzoyl-alpha-methyl-2-oxo-3-benzoxazolineacetic acid, 3-BENZOXAZOLINEACETIC ACID, 6-BENZOYL-alpha-METHYL-2-OXO-, 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid, 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid, 6-Benzoyl-alpha-methyl-2-oxo-3(2H)-benzoxazoleacetic acid
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 76752-11-9 |
|---|---|
| SMILES | CC(C(=O)O)N1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1=O |
| InChIKey | DWZGSXBZMDUMHX-UHFFFAOYSA-N |
Product Overview
2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid (CAS 76752-11-9), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid.
Chemical Property Profile of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
Property Insights of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid has 1 hydrogen bond donor(s) and 5 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-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
The CAS number of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid is 76752-11-9.
What is the molecular formula of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
The molecular formula of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid is C17H13NO5.
What is the molecular weight of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
The molecular weight of 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid is 311.08 g/mol.
Where can I buy 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
You can request a quote for 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.