4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide
TL;DR: 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide (CAS 338962-43-9) 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.
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2-oxazole
Also Known As: 4-chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide, 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2-oxazole, 5-{[(4-chlorophenyl)sulfanyl]methyl}-3-phenyl-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 | 338962-43-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)CSC3=CC=C(C=C3)Cl |
Product Overview
4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide (CAS 338962-43-9), with molecular formula C16H12ClNOS and molecular weight 301.03 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2-oxazole.
Chemical Property Profile of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide
Property Insights of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide
The XLogP value of 5.2873 indicates that 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide 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 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide?
The CAS number of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide is 338962-43-9.
What is the molecular formula of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide?
The molecular formula of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide is C16H12ClNOS.
What is the molecular weight of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide?
The molecular weight of 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide is 301.03 g/mol.
Where can I buy 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide?
You can request a quote for 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl (3-phenyl-5-isoxazolyl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.