1,3-Dichloro-2-(methylsulfonylmethyl)benzene
TL;DR: 1,3-Dichloro-2-(methylsulfonylmethyl)benzene (CAS 20018-02-4) is a chemical compound with molecular formula C8H8Cl2O2S and molecular weight 237.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-(methylsulfonylmethyl)benzene
Also Known As: Maybridge1_002924, DivK1c_001676, 1,3-Dichloro-2-(methanesulfonylmethyl)benzene, CDS1_000636, 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
| Molecular Formula | C8H8Cl2O2S |
|---|---|
| Molecular Weight | 237.96 g/mol |
| LogP | 2.538 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.9622 |
| Heavy Atoms | 13 |
| Complexity | 391.90225 |
Chemical Identifiers
| CAS Number | 20018-02-4 |
|---|---|
| SMILES | CS(=O)(=O)CC1=C(C=CC=C1Cl)Cl |
Product Overview
1,3-Dichloro-2-(methylsulfonylmethyl)benzene (CAS 20018-02-4), with molecular formula C8H8Cl2O2S and molecular weight 237.96 g/mol. IUPAC: 1,3-dichloro-2-(methylsulfonylmethyl)benzene.
Chemical Property Profile of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene
Property Insights of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene
The XLogP value of 2.538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2-(methylsulfonylmethyl)benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1,3-Dichloro-2-(methylsulfonylmethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2-(methylsulfonylmethyl)benzene 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 1,3-Dichloro-2-(methylsulfonylmethyl)benzene?
The CAS number of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene is 20018-02-4.
What is the molecular formula of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene?
The molecular formula of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene is C8H8Cl2O2S.
What is the molecular weight of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene?
The molecular weight of 1,3-Dichloro-2-(methylsulfonylmethyl)benzene is 237.96 g/mol.
Where can I buy 1,3-Dichloro-2-(methylsulfonylmethyl)benzene?
You can request a quote for 1,3-Dichloro-2-(methylsulfonylmethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-2-(methylsulfonylmethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-2-(methylsulfonylmethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.