4-Ethylphenyl benzenesulfonate
TL;DR: 4-Ethylphenyl benzenesulfonate (CAS 791830-69-8) is a chemical compound with molecular formula C14H14O3S and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylphenyl) benzenesulfonate
Also Known As: 4-ethylphenyl benzenesulfonate, (4-ethylphenyl) benzenesulfonate, Benzenesulfonic acid 4-ethylphenyl ester, J3.285.715I, AO-548/41145081
| Molecular Formula | C14H14O3S |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 3.0167 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.06638 |
| Heavy Atoms | 18 |
| Complexity | 601.2472 |
Chemical Identifiers
| CAS Number | 791830-69-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-Ethylphenyl benzenesulfonate (CAS 791830-69-8), with molecular formula C14H14O3S and molecular weight 262.07 g/mol. IUPAC: (4-ethylphenyl) benzenesulfonate.
Chemical Property Profile of 4-Ethylphenyl benzenesulfonate
Property Insights of 4-Ethylphenyl benzenesulfonate
The XLogP value of 3.0167 indicates that 4-Ethylphenyl 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, 4-Ethylphenyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylphenyl 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 4-Ethylphenyl benzenesulfonate?
The CAS number of 4-Ethylphenyl benzenesulfonate is 791830-69-8.
What is the molecular formula of 4-Ethylphenyl benzenesulfonate?
The molecular formula of 4-Ethylphenyl benzenesulfonate is C14H14O3S.
What is the molecular weight of 4-Ethylphenyl benzenesulfonate?
The molecular weight of 4-Ethylphenyl benzenesulfonate is 262.07 g/mol.
Where can I buy 4-Ethylphenyl benzenesulfonate?
You can request a quote for 4-Ethylphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.