![3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole structure](/static/products/1068/106807-86-7.webp)
3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole
TL;DR: 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole (CAS 106807-86-7) is a chemical compound with molecular formula C16H12ClNO3S and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonylmethyl)-3-(4-chlorophenyl)-1,2-oxazole
Also Known As: 3-(4-chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole, 5-[(benzenesulfonyl)methyl]-3-(4-chlorophenyl)-1,2-oxazole, 5-(benzenesulfonylmethyl)-3-(4-chlorophenyl)-1,2-oxazole
| Molecular Formula | C16H12ClNO3S |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.9689 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.02264 |
| Heavy Atoms | 22 |
| Complexity | 871.2691 |
Chemical Identifiers
| CAS Number | 106807-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole (CAS 106807-86-7), with molecular formula C16H12ClNO3S and molecular weight 333.02 g/mol. IUPAC: 5-(benzenesulfonylmethyl)-3-(4-chlorophenyl)-1,2-oxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole
Property Insights of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole
The XLogP value of 3.9689 indicates that 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole has 0 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-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
The CAS number of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole is 106807-86-7.
What is the molecular formula of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
The molecular formula of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole is C16H12ClNO3S.
What is the molecular weight of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
The molecular weight of 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole is 333.02 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
You can request a quote for 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-[(phenylsulfonyl)methyl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.