1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene
TL;DR: 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene (CAS 13590-65-3) is a chemical compound with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene
Also Known As: 3'-Methylsulfonyl-PCB95, 5-MeSO2-CB95, 1,2,4-trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene, J3.477.661J, 2,2',3,5',6-pentachloro-5-(methylsulfonyl)biphenyl
| Molecular Formula | C13H7Cl5O2S |
|---|---|
| Molecular Weight | 401.86 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.86093 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 13590-65-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl)Cl |
| InChIKey | RQOQOBHOBGEXFE-UHFFFAOYSA-N |
Product Overview
1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene (CAS 13590-65-3), with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol. IUPAC: 1,2,4-trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene.
Chemical Property Profile of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene
Property Insights of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene
The XLogP value of 5.5 indicates that 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene?
The CAS number of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene is 13590-65-3.
What is the molecular formula of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene?
The molecular formula of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene is C13H7Cl5O2S.
What is the molecular weight of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene?
The molecular weight of 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene is 401.86 g/mol.
Where can I buy 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene?
You can request a quote for 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-3-(2,5-dichlorophenyl)-5-methylsulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.