2,4-Dichlorophenyl para-toluenesulfonate
TL;DR: 2,4-Dichlorophenyl para-toluenesulfonate (CAS 57745-26-3) is a chemical compound with molecular formula C13H10Cl2O3S and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl) 4-methylbenzenesulfonate
Also Known As: 2,4-dichlorophenyl 4-methylbenzenesulfonate, NCI Code, 4179, 2,4-dichlorophenyl 4-methylbenzene-1-sulfonate, (2,4-dichlorophenyl) 4-methylbenzenesulfonate, 2,4-dichlorophenyl p-toluenesulfonate
| Molecular Formula | C13H10Cl2O3S |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.97278 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 57745-26-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | JVULAOJMCZFRSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichlorophenyl para-toluenesulfonate (CAS 57745-26-3), with molecular formula C13H10Cl2O3S and molecular weight 315.97 g/mol. IUPAC: (2,4-dichlorophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2,4-Dichlorophenyl para-toluenesulfonate
Property Insights of 2,4-Dichlorophenyl para-toluenesulfonate
The XLogP value of 4.6 indicates that 2,4-Dichlorophenyl para-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2,4-Dichlorophenyl para-toluenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorophenyl para-toluenesulfonate has 0 hydrogen bond donor(s) and 3 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 2,4-Dichlorophenyl para-toluenesulfonate?
The CAS number of 2,4-Dichlorophenyl para-toluenesulfonate is 57745-26-3.
What is the molecular formula of 2,4-Dichlorophenyl para-toluenesulfonate?
The molecular formula of 2,4-Dichlorophenyl para-toluenesulfonate is C13H10Cl2O3S.
What is the molecular weight of 2,4-Dichlorophenyl para-toluenesulfonate?
The molecular weight of 2,4-Dichlorophenyl para-toluenesulfonate is 315.97 g/mol.
Where can I buy 2,4-Dichlorophenyl para-toluenesulfonate?
You can request a quote for 2,4-Dichlorophenyl para-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorophenyl para-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorophenyl para-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.