1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene
TL;DR: 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene (CAS 15894-29-8) is a chemical compound with molecular formula C9H7Cl2F3O2S and molecular weight 305.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene
Also Known As: 1-(dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene, Dichloromethyl 3-(trifluoromethyl)benzyl sulfone, Dichloromethyl m-(trifluoromethyl)benzyl sulfone, Sulfone, dichloromethyl m-(trifluoromethyl)benzyl, Dichloromethyl 3-(trifluoromethyl)benzyl sulfone #
| Molecular Formula | C9H7Cl2F3O2S |
|---|---|
| Molecular Weight | 305.95 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.9496 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 15894-29-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C(Cl)Cl |
| InChIKey | KDGCYXWTYONMAN-UHFFFAOYSA-N |
Product Overview
1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene (CAS 15894-29-8), with molecular formula C9H7Cl2F3O2S and molecular weight 305.95 g/mol. IUPAC: 1-(dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene
Property Insights of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene
The XLogP value of 3.4 indicates that 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 5 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-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene?
The CAS number of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene is 15894-29-8.
What is the molecular formula of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene?
The molecular formula of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene is C9H7Cl2F3O2S.
What is the molecular weight of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene?
The molecular weight of 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene is 305.95 g/mol.
Where can I buy 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene?
You can request a quote for 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dichloromethylsulfonylmethyl)-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.