4-Ethylphenyl 2-methylbenzenesulfonate
TL;DR: 4-Ethylphenyl 2-methylbenzenesulfonate (CAS 791840-08-9) 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.
(4-ethylphenyl) 2-methylbenzenesulfonate
Also Known As: 4-ethylphenyl 2-methylbenzenesulfonate, (4-ethylphenyl) 2-methylbenzenesulfonate, AO-548/43179552
| Molecular Formula | C15H16O3S |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 3.32512 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.082 |
| Heavy Atoms | 19 |
| Complexity | 658.045 |
Chemical Identifiers
| CAS Number | 791840-08-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C |
Product Overview
4-Ethylphenyl 2-methylbenzenesulfonate (CAS 791840-08-9), with molecular formula C15H16O3S and molecular weight 276.08 g/mol. IUPAC: (4-ethylphenyl) 2-methylbenzenesulfonate.
Chemical Property Profile of 4-Ethylphenyl 2-methylbenzenesulfonate
Property Insights of 4-Ethylphenyl 2-methylbenzenesulfonate
The XLogP value of 3.32512 indicates that 4-Ethylphenyl 2-methylbenzenesulfonate 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 2-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylphenyl 2-methylbenzenesulfonate 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 2-methylbenzenesulfonate?
The CAS number of 4-Ethylphenyl 2-methylbenzenesulfonate is 791840-08-9.
What is the molecular formula of 4-Ethylphenyl 2-methylbenzenesulfonate?
The molecular formula of 4-Ethylphenyl 2-methylbenzenesulfonate is C15H16O3S.
What is the molecular weight of 4-Ethylphenyl 2-methylbenzenesulfonate?
The molecular weight of 4-Ethylphenyl 2-methylbenzenesulfonate is 276.08 g/mol.
Where can I buy 4-Ethylphenyl 2-methylbenzenesulfonate?
You can request a quote for 4-Ethylphenyl 2-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylphenyl 2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylphenyl 2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.