苯基2,4,6-三甲基苯磺酸盐
TL;DR: 苯基2,4,6-三甲基苯磺酸盐 (CAS 83195-24-8) 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.
苯基2,4,6-三甲基苯磺酸盐
phenyl 2,4,6-trimethylbenzenesulfonate
Also Known As: phenyl 2,4,6-trimethylbenzenesulfonate, phenyl mesitylenesulfonate, mesitylenesulfonic acid phenylester, phenyl 2,4,6-trimethylbenzene-1-sulfonate, Benzenesulfonic acid,2,4,6-trimethyl-, phenyl ester
| Molecular Formula | C15H16O3S |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.082 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 83195-24-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2)C |
| InChIKey | BBTGZLICINVWQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基2,4,6-三甲基苯磺酸盐 (CAS 83195-24-8), with molecular formula C15H16O3S and molecular weight 276.08 g/mol. IUPAC: phenyl 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 苯基2,4,6-三甲基苯磺酸盐
Property Insights of 苯基2,4,6-三甲基苯磺酸盐
The XLogP value of 4.1 indicates that 苯基2,4,6-三甲基苯磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 苯基2,4,6-三甲基苯磺酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基2,4,6-三甲基苯磺酸盐 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 苯基2,4,6-三甲基苯磺酸盐?
The CAS number of 苯基2,4,6-三甲基苯磺酸盐 is 83195-24-8.
What is the molecular formula of 苯基2,4,6-三甲基苯磺酸盐?
The molecular formula of 苯基2,4,6-三甲基苯磺酸盐 is C15H16O3S.
What is the molecular weight of 苯基2,4,6-三甲基苯磺酸盐?
The molecular weight of 苯基2,4,6-三甲基苯磺酸盐 is 276.08 g/mol.
Where can I buy 苯基2,4,6-三甲基苯磺酸盐?
You can request a quote for 苯基2,4,6-三甲基苯磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基2,4,6-三甲基苯磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 苯基2,4,6-三甲基苯磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.