3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-
TL;DR: 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- (CAS 76751-99-0) is a chemical compound with molecular formula C16H10ClNO5 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
Also Known As: 3-BENZOXAZOLINEACETIC ACID, 6-(o-CHLOROBENZOYL)-2-OXO-, 6-(o-Chlorobenzoyl)-2-oxo-3-benzoxazolineacetic acid, 6-(2-Chlorobenzoyl)-2-oxo-3(2H)-benzoxazoleacetic acid, [6-(2-Chlorobenzoyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]acetic acid, 2-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
| Molecular Formula | C16H10ClNO5 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.02475 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 76751-99-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O)Cl |
| InChIKey | QUZFNXRKNBXRAK-UHFFFAOYSA-N |
Product Overview
3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- (CAS 76751-99-0), with molecular formula C16H10ClNO5 and molecular weight 331.02 g/mol. IUPAC: 2-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid.
Chemical Property Profile of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-
Property Insights of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-. Following Lipinski's Rule of Five, 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- 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 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-?
The CAS number of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- is 76751-99-0.
What is the molecular formula of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-?
The molecular formula of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- is C16H10ClNO5.
What is the molecular weight of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-?
The molecular weight of 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- is 331.02 g/mol.
Where can I buy 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-?
You can request a quote for 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoxazolineacetic acid, 6-(o-chlorobenzoyl)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.