1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)
TL;DR: 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) (CAS 40348-74-1) is a chemical compound with molecular formula C15H16O4S and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-2-phenylethyl) 4-methylbenzenesulfonate
Also Known As: (S)-(+)-1-Phenyl-1,2-ethanediol 2-tosylate, 3,4-Ethylenedioxybenzylamine, 1-Phenyl-2-(tosyloxy)ethanol, 1-Phenylethylene glycol 2-tosylate, (R)-2-Hydroxy-2-phenylethyl 4-methylbenzenesulfonate
| Molecular Formula | C15H16O4S |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.43392 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.07693 |
| Heavy Atoms | 20 |
| Complexity | 648.0327 |
Chemical Identifiers
| CAS Number | 40348-74-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)O |
Product Overview
1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) (CAS 40348-74-1), with molecular formula C15H16O4S and molecular weight 292.08 g/mol. IUPAC: (2-hydroxy-2-phenylethyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)
Property Insights of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)
The XLogP value of 2.43392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate). The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) has 1 hydrogen bond donor(s) and 4 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 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)?
The CAS number of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) is 40348-74-1.
What is the molecular formula of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)?
The molecular formula of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) is C15H16O4S.
What is the molecular weight of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)?
The molecular weight of 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) is 292.08 g/mol.
Where can I buy 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)?
You can request a quote for 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediol, 1-phenyl-, 2-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.