![3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole structure](/static/products/4780/478048-80-5.webp)
3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole
TL;DR: 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole (CAS 478048-80-5) is a chemical compound with molecular formula C17H14ClNOS and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole
Also Known As: 3-(4-chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole, 3-(4-chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1,2-oxazole, 3-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole, REGID_for_CID_1479598
| Molecular Formula | C17H14ClNOS |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 5.59572 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.04846 |
| Heavy Atoms | 21 |
| Complexity | 719.30585 |
Chemical Identifiers
| CAS Number | 478048-80-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole (CAS 478048-80-5), with molecular formula C17H14ClNOS and molecular weight 315.05 g/mol. IUPAC: 3-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole
Property Insights of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole
The XLogP value of 5.59572 indicates that 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]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-{[(4-methylphenyl)sulfanyl]methyl}isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]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-{[(4-methylphenyl)sulfanyl]methyl}isoxazole?
The CAS number of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole is 478048-80-5.
What is the molecular formula of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole?
The molecular formula of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole is C17H14ClNOS.
What is the molecular weight of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole?
The molecular weight of 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole is 315.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole?
You can request a quote for 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]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-{[(4-methylphenyl)sulfanyl]methyl}isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-{[(4-methylphenyl)sulfanyl]methyl}isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.