![3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole structure](/static/products/4780/478048-79-2.webp)
3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole
TL;DR: 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole (CAS 478048-79-2) is a chemical compound with molecular formula C16H12ClNOS and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2-oxazole
Also Known As: 3-(4-chlorophenyl)-5-[(phenylthio)methyl]isoxazole, 3-(4-chlorophenyl)-5-[(phenylsulfanyl)methyl]isoxazole, 3-(4-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2-oxazole, 3-(4-chlorophenyl)-5-[(phenylsulfanyl)methyl]-1,2-oxazole
| Molecular Formula | C16H12ClNOS |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 5.2873 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0328 |
| Heavy Atoms | 20 |
| Complexity | 679.2113 |
Chemical Identifiers
| CAS Number | 478048-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole (CAS 478048-79-2), with molecular formula C16H12ClNOS and molecular weight 301.03 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2-oxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole
Property Insights of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole
The XLogP value of 5.2873 indicates that 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole?
The CAS number of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole is 478048-79-2.
What is the molecular formula of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole?
The molecular formula of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole is C16H12ClNOS.
What is the molecular weight of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole?
The molecular weight of 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole is 301.03 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole?
You can request a quote for 3-(4-Chlorophenyl)-5-[(phenylthio)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-[(phenylthio)methyl]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.