Mesityl benzenesulfonate
TL;DR: Mesityl benzenesulfonate (CAS 119440-91-4) is a chemical compound with molecular formula C15H16O3S and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylphenyl) benzenesulfonate
Also Known As: mesityl benzenesulfonate, (2,4,6-trimethylphenyl) benzenesulfonate, AE-848/33606064
| Molecular Formula | C15H16O3S |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 3.37956 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.082 |
| Heavy Atoms | 19 |
| Complexity | 665.5807 |
Chemical Identifiers
| CAS Number | 119440-91-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=CC=CC=C2)C |
Product Overview
Mesityl benzenesulfonate (CAS 119440-91-4), with molecular formula C15H16O3S and molecular weight 276.08 g/mol. IUPAC: (2,4,6-trimethylphenyl) benzenesulfonate.
Chemical Property Profile of Mesityl benzenesulfonate
Property Insights of Mesityl benzenesulfonate
The XLogP value of 3.37956 indicates that Mesityl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Mesityl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesityl benzenesulfonate 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 Mesityl benzenesulfonate?
The CAS number of Mesityl benzenesulfonate is 119440-91-4.
What is the molecular formula of Mesityl benzenesulfonate?
The molecular formula of Mesityl benzenesulfonate is C15H16O3S.
What is the molecular weight of Mesityl benzenesulfonate?
The molecular weight of Mesityl benzenesulfonate is 276.08 g/mol.
Where can I buy Mesityl benzenesulfonate?
You can request a quote for Mesityl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesityl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Mesityl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.