Benzenesulfonic acid, 4-methyl-, dodecyl ester
TL;DR: Benzenesulfonic acid, 4-methyl-, dodecyl ester (CAS 10157-76-3) is a chemical compound with molecular formula C19H32O3S and molecular weight 340.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 4-methylbenzenesulfonate
Also Known As: Dodecyl 4-methylbenzenesulfonate, Dodecyl p-toluenesulfonate, Dodecylp-toluenesulfonate, lauryl tosylate, 1-dodecyl tosylate
| Molecular Formula | C19H32O3S |
|---|---|
| Molecular Weight | 340.21 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 340.2072 |
| Heavy Atoms | 23 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 10157-76-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | QHKNLARMWXIVSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-methyl-, dodecyl ester (CAS 10157-76-3), with molecular formula C19H32O3S and molecular weight 340.21 g/mol. IUPAC: dodecyl 4-methylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-methyl-, dodecyl ester
Property Insights of Benzenesulfonic acid, 4-methyl-, dodecyl ester
The XLogP value of 7.0 indicates that Benzenesulfonic acid, 4-methyl-, dodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Benzenesulfonic acid, 4-methyl-, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-methyl-, dodecyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 4-methyl-, dodecyl ester?
The CAS number of Benzenesulfonic acid, 4-methyl-, dodecyl ester is 10157-76-3.
What is the molecular formula of Benzenesulfonic acid, 4-methyl-, dodecyl ester?
The molecular formula of Benzenesulfonic acid, 4-methyl-, dodecyl ester is C19H32O3S.
What is the molecular weight of Benzenesulfonic acid, 4-methyl-, dodecyl ester?
The molecular weight of Benzenesulfonic acid, 4-methyl-, dodecyl ester is 340.21 g/mol.
Where can I buy Benzenesulfonic acid, 4-methyl-, dodecyl ester?
You can request a quote for Benzenesulfonic acid, 4-methyl-, dodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-methyl-, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-methyl-, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.