4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide
TL;DR: 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide (CAS 303985-24-2) is a chemical compound with molecular formula C13H14ClNO2S and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfinylmethyl]-3,5-dimethyl-1,2-oxazole
Also Known As: 11L-574S, 4-chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide, 4-[(4-chlorophenyl)methylsulfinylmethyl]-3,5-dimethyl-1,2-oxazole, 4-(((4-Chlorobenzyl)sulfinyl)methyl)-3,5-dimethylisoxazole, 4-{[(4-chlorophenyl)methanesulfinyl]methyl}-3,5-dimethyl-1,2-oxazole
| Molecular Formula | C13H14ClNO2S |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 3.39374 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.04337 |
| Heavy Atoms | 18 |
| Complexity | 543.37024 |
Chemical Identifiers
| CAS Number | 303985-24-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CS(=O)CC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide (CAS 303985-24-2), with molecular formula C13H14ClNO2S and molecular weight 283.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfinylmethyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide
Property Insights of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide
The XLogP value of 3.39374 indicates that 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide has 0 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-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide?
The CAS number of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide is 303985-24-2.
What is the molecular formula of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide?
The molecular formula of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide is C13H14ClNO2S.
What is the molecular weight of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide?
The molecular weight of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide is 283.04 g/mol.
Where can I buy 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide?
You can request a quote for 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.