3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-
TL;DR: 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo- (CAS 76752-04-0) is a chemical compound with molecular formula C17H12ClNO5 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
Also Known As: 3-BENZOXAZOLINEPROPIONIC ACID, 6-(o-CHLOROBENZOYL)-2-OXO-, 6-(o-Chlorobenzoyl)-2-oxo-3-benzoxazolinepropionic acid, 6-(2-Chlorobenzoyl)-2-oxo-3(2H)-benzoxazolepropionic acid, 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid, 3-[6-(2-Chlorobenzoyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]propanoic acid
| Molecular Formula | C17H12ClNO5 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.0404 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 76752-04-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)O)Cl |
| InChIKey | KTHMUQHTRNDFEG-UHFFFAOYSA-N |
Product Overview
3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo- (CAS 76752-04-0), with molecular formula C17H12ClNO5 and molecular weight 345.04 g/mol. IUPAC: 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid.
Chemical Property Profile of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-
Property Insights of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-. Following Lipinski's Rule of Five, 3-Benzoxazolinepropionic 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-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-?
The CAS number of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo- is 76752-04-0.
What is the molecular formula of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-?
The molecular formula of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo- is C17H12ClNO5.
What is the molecular weight of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-?
The molecular weight of 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo- is 345.04 g/mol.
Where can I buy 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-?
You can request a quote for 3-Benzoxazolinepropionic 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-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoxazolinepropionic acid, 6-(o-chlorobenzoyl)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.