2,4,6-Trimethylbenzene-1-sulfonate
TL;DR: 2,4,6-Trimethylbenzene-1-sulfonate (CAS 46149-61-5) is a chemical compound with molecular formula C9H11O3S- and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzenesulfonate
Also Known As: mesitylenesulfonate, mesitylene sulfonate, mesitylene-sulfonate, 2,4,6-trimethylbenzenesulfonate, 2-Mesitylenesulfonic acid dihydrate
| Molecular Formula | C9H11O3S- |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.51596 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.0429 |
| Heavy Atoms | 13 |
| Complexity | 409.16818 |
Chemical Identifiers
| CAS Number | 46149-61-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C |
Product Overview
2,4,6-Trimethylbenzene-1-sulfonate (CAS 46149-61-5), with molecular formula C9H11O3S- and molecular weight 199.04 g/mol. IUPAC: 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 2,4,6-Trimethylbenzene-1-sulfonate
Property Insights of 2,4,6-Trimethylbenzene-1-sulfonate
The XLogP value of 1.51596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzene-1-sulfonate. With a topological polar surface area (TPSA) of 57.2 Ų, 2,4,6-Trimethylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzene-1-sulfonate 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 2,4,6-Trimethylbenzene-1-sulfonate?
The CAS number of 2,4,6-Trimethylbenzene-1-sulfonate is 46149-61-5.
What is the molecular formula of 2,4,6-Trimethylbenzene-1-sulfonate?
The molecular formula of 2,4,6-Trimethylbenzene-1-sulfonate is C9H11O3S-.
What is the molecular weight of 2,4,6-Trimethylbenzene-1-sulfonate?
The molecular weight of 2,4,6-Trimethylbenzene-1-sulfonate is 199.04 g/mol.
Where can I buy 2,4,6-Trimethylbenzene-1-sulfonate?
You can request a quote for 2,4,6-Trimethylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.