1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene
TL;DR: 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene (CAS 85068-27-5) 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.
1,2-dichloro-4-methyl-5-methylsulfonylbenzene
Also Known As: 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene, 2,5-Difluorophenylacetic acid, 1,2-dichloro-4-methyl-5-methylsulfonylbenzene, 0585AF, 1,2-dichloro-4-methanesulfonyl-5-methylbenzene
| Molecular Formula | C8H8Cl2O2S |
|---|---|
| Molecular Weight | 237.96 g/mol |
| LogP | 2.70532 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.9622 |
| Heavy Atoms | 13 |
| Complexity | 437.7024 |
Chemical Identifiers
| CAS Number | 85068-27-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)C)Cl)Cl |
Product Overview
1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene (CAS 85068-27-5), with molecular formula C8H8Cl2O2S and molecular weight 237.96 g/mol. IUPAC: 1,2-dichloro-4-methyl-5-methylsulfonylbenzene.
Chemical Property Profile of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene
Property Insights of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene
The XLogP value of 2.70532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-methyl-5-(methylsulfonyl)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 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene?
The CAS number of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene is 85068-27-5.
What is the molecular formula of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene?
The molecular formula of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene is C8H8Cl2O2S.
What is the molecular weight of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene?
The molecular weight of 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene is 237.96 g/mol.
Where can I buy 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene?
You can request a quote for 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-methyl-5-(methylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.