2,4-Dimethylbenzenesulfonate
TL;DR: 2,4-Dimethylbenzenesulfonate (CAS 85182-92-9) is a chemical compound with molecular formula C8H9O3S- and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylbenzenesulfonate
Also Known As: 2,4-dimethylbenzenesulfonate, Sodium 2,4-Dimethylbenzenesulfonate, Potassium 2-iodo-5-methylbenzenesulfonate, AE-562/43296508
| Molecular Formula | C8H9O3S- |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 1.20754 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02724 |
| Heavy Atoms | 12 |
| Complexity | 392.76404 |
Chemical Identifiers
| CAS Number | 85182-92-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)[O-])C |
Product Overview
2,4-Dimethylbenzenesulfonate (CAS 85182-92-9), with molecular formula C8H9O3S- and molecular weight 185.03 g/mol. IUPAC: 2,4-dimethylbenzenesulfonate.
Chemical Property Profile of 2,4-Dimethylbenzenesulfonate
Property Insights of 2,4-Dimethylbenzenesulfonate
The XLogP value of 1.20754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylbenzenesulfonate. With a topological polar surface area (TPSA) of 57.2 Ų, 2,4-Dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylbenzenesulfonate 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-Dimethylbenzenesulfonate?
The CAS number of 2,4-Dimethylbenzenesulfonate is 85182-92-9.
What is the molecular formula of 2,4-Dimethylbenzenesulfonate?
The molecular formula of 2,4-Dimethylbenzenesulfonate is C8H9O3S-.
What is the molecular weight of 2,4-Dimethylbenzenesulfonate?
The molecular weight of 2,4-Dimethylbenzenesulfonate is 185.03 g/mol.
Where can I buy 2,4-Dimethylbenzenesulfonate?
You can request a quote for 2,4-Dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.