(4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone
TL;DR: (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone (CAS 76751-94-5) is a chemical compound with molecular formula C14H8ClNO3 and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
Also Known As: 6-(4-Chlorobenzoyl)-2(3H)-benzoxazolone, 2(3H)-Benzoxazolone, 6-(4-chlorobenzoyl)-, 6-(4-chlorobenzoyl)-3H-1,3-benzoxazol-2-one, (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone, RefChem:1050401
| Molecular Formula | C14H8ClNO3 |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 3.0055 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.01926 |
| Heavy Atoms | 19 |
| Complexity | 814.5734 |
Chemical Identifiers
| CAS Number | 76751-94-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)O3)Cl |
Product Overview
(4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone (CAS 76751-94-5), with molecular formula C14H8ClNO3 and molecular weight 273.02 g/mol. IUPAC: 6-(4-chlorobenzoyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone
Property Insights of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone
The XLogP value of 3.0055 indicates that (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone. Following Lipinski's Rule of Five, (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone has 1 hydrogen bond donor(s) and 3 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 (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone?
The CAS number of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone is 76751-94-5.
What is the molecular formula of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone?
The molecular formula of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone is C14H8ClNO3.
What is the molecular weight of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone?
The molecular weight of (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone is 273.02 g/mol.
Where can I buy (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone?
You can request a quote for (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(2-hydroxy-1,3-benzoxazol-6-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.