4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone
TL;DR: 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone (CAS 303985-23-1) is a chemical compound with molecular formula C13H14ClNO3S and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole
Also Known As: 4-chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone, 4-[(4-chlorophenyl)methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole, 4-(((4-Chlorobenzyl)sulfonyl)methyl)-3,5-dimethylisoxazole, 4-{[(4-chlorophenyl)methanesulfonyl]methyl}-3,5-dimethyl-1,2-oxazole, 4-([(4-CHLOROBENZYL)SULFONYL]METHYL)-3,5-DIMETHYLISOXAZOLE
| Molecular Formula | C13H14ClNO3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 3.05984 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0383 |
| Heavy Atoms | 19 |
| Complexity | 654.91394 |
Chemical Identifiers
| CAS Number | 303985-23-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CS(=O)(=O)CC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone (CAS 303985-23-1), with molecular formula C13H14ClNO3S and molecular weight 299.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfonylmethyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone
Property Insights of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone
The XLogP value of 3.05984 indicates that 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone 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 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone. Following Lipinski's Rule of Five, 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone 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 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone?
The CAS number of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone is 303985-23-1.
What is the molecular formula of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone?
The molecular formula of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone is C13H14ClNO3S.
What is the molecular weight of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone?
The molecular weight of 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone is 299.04 g/mol.
Where can I buy 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone?
You can request a quote for 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone 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 sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl (3,5-dimethyl-4-isoxazolyl)methyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.