Methyl 2,4,5-trichlorophenyl sulfone
TL;DR: Methyl 2,4,5-trichlorophenyl sulfone (CAS 4163-80-8) is a chemical compound with molecular formula C7H5Cl3O2S and molecular weight 257.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-methylsulfonylbenzene
Also Known As: METHYL 2,4,5-TRICHLOROPHENYL SULFONE, Sulfone, methyl 2,4,5-trichlorophenyl, 1,2,4-trichloro-5-methylsulfonylbenzene, 2,4,5-Trichlorophenyl methyl sulfone, 1,2,4-TRICHLORO-5-METHYLSULFONYL-BENZENE
| Molecular Formula | C7H5Cl3O2S |
|---|---|
| Molecular Weight | 257.91 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.9076 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 4163-80-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | BLRLBBXZXPUHIH-UHFFFAOYSA-N |
Product Overview
Methyl 2,4,5-trichlorophenyl sulfone (CAS 4163-80-8), with molecular formula C7H5Cl3O2S and molecular weight 257.91 g/mol. IUPAC: 1,2,4-trichloro-5-methylsulfonylbenzene.
Chemical Property Profile of Methyl 2,4,5-trichlorophenyl sulfone
Property Insights of Methyl 2,4,5-trichlorophenyl sulfone
The XLogP value of 3.0 indicates that Methyl 2,4,5-trichlorophenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Methyl 2,4,5-trichlorophenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,4,5-trichlorophenyl 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 Methyl 2,4,5-trichlorophenyl sulfone?
The CAS number of Methyl 2,4,5-trichlorophenyl sulfone is 4163-80-8.
What is the molecular formula of Methyl 2,4,5-trichlorophenyl sulfone?
The molecular formula of Methyl 2,4,5-trichlorophenyl sulfone is C7H5Cl3O2S.
What is the molecular weight of Methyl 2,4,5-trichlorophenyl sulfone?
The molecular weight of Methyl 2,4,5-trichlorophenyl sulfone is 257.91 g/mol.
Where can I buy Methyl 2,4,5-trichlorophenyl sulfone?
You can request a quote for Methyl 2,4,5-trichlorophenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4,5-trichlorophenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4,5-trichlorophenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.