3,4-Dichlorobenzyl 4-methylphenyl sulfone
TL;DR: 3,4-Dichlorobenzyl 4-methylphenyl sulfone (CAS 673452-30-7) is a chemical compound with molecular formula C14H12Cl2O2S and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-[(4-methylphenyl)sulfonylmethyl]benzene
Also Known As: 3,4-dichlorobenzyl 4-methylphenyl sulfone, 1,2-Dichloro-4-[[(4-methylphenyl)sulfonyl]methyl]benzene, 1,2-dichloro-4-[(4-methylphenyl)sulfonylmethyl]benzene, AF-399/41075495, 1-{[(3,4-dichlorophenyl)methyl]sulfonyl}-4-methylbenzene
| Molecular Formula | C14H12Cl2O2S |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 4.27572 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.9935 |
| Heavy Atoms | 19 |
| Complexity | 691.8859 |
Chemical Identifiers
| CAS Number | 673452-30-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl |
Product Overview
3,4-Dichlorobenzyl 4-methylphenyl sulfone (CAS 673452-30-7), with molecular formula C14H12Cl2O2S and molecular weight 313.99 g/mol. IUPAC: 1,2-dichloro-4-[(4-methylphenyl)sulfonylmethyl]benzene.
Chemical Property Profile of 3,4-Dichlorobenzyl 4-methylphenyl sulfone
Property Insights of 3,4-Dichlorobenzyl 4-methylphenyl sulfone
The XLogP value of 4.27572 indicates that 3,4-Dichlorobenzyl 4-methylphenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3,4-Dichlorobenzyl 4-methylphenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzyl 4-methylphenyl sulfone has 0 hydrogen bond donor(s) and 2 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 3,4-Dichlorobenzyl 4-methylphenyl sulfone?
The CAS number of 3,4-Dichlorobenzyl 4-methylphenyl sulfone is 673452-30-7.
What is the molecular formula of 3,4-Dichlorobenzyl 4-methylphenyl sulfone?
The molecular formula of 3,4-Dichlorobenzyl 4-methylphenyl sulfone is C14H12Cl2O2S.
What is the molecular weight of 3,4-Dichlorobenzyl 4-methylphenyl sulfone?
The molecular weight of 3,4-Dichlorobenzyl 4-methylphenyl sulfone is 313.99 g/mol.
Where can I buy 3,4-Dichlorobenzyl 4-methylphenyl sulfone?
You can request a quote for 3,4-Dichlorobenzyl 4-methylphenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzyl 4-methylphenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzyl 4-methylphenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.