p-Ethylsulfinylphenyl methanesulfonate
TL;DR: p-Ethylsulfinylphenyl methanesulfonate (CAS 36116-17-3) is a chemical compound with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfinylphenyl) methanesulfonate
Also Known As: p-Ethylsulfinylphenyl methanesulfonate, (4-ethylsulfinylphenyl) methanesulfonate, 4-(Ethanesulfinyl)phenyl methanesulfonate, Phenol, 4-(ethylsulfinyl)-, methanesulfonate, 1-ethylsulfinyl-4-methylsulfonyloxy-benzene
| Molecular Formula | C9H12O4S2 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.0177 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 36116-17-3 |
|---|---|
| SMILES | CCS(=O)C1=CC=C(C=C1)OS(=O)(=O)C |
| InChIKey | PUJNNPLDEBOBCE-UHFFFAOYSA-N |
Product Overview
p-Ethylsulfinylphenyl methanesulfonate (CAS 36116-17-3), with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol. IUPAC: (4-ethylsulfinylphenyl) methanesulfonate.
Chemical Property Profile of p-Ethylsulfinylphenyl methanesulfonate
Property Insights of p-Ethylsulfinylphenyl methanesulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Ethylsulfinylphenyl methanesulfonate. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Ethylsulfinylphenyl methanesulfonate. Following Lipinski's Rule of Five, p-Ethylsulfinylphenyl methanesulfonate has 0 hydrogen bond donor(s) and 5 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 p-Ethylsulfinylphenyl methanesulfonate?
The CAS number of p-Ethylsulfinylphenyl methanesulfonate is 36116-17-3.
What is the molecular formula of p-Ethylsulfinylphenyl methanesulfonate?
The molecular formula of p-Ethylsulfinylphenyl methanesulfonate is C9H12O4S2.
What is the molecular weight of p-Ethylsulfinylphenyl methanesulfonate?
The molecular weight of p-Ethylsulfinylphenyl methanesulfonate is 248.02 g/mol.
Where can I buy p-Ethylsulfinylphenyl methanesulfonate?
You can request a quote for p-Ethylsulfinylphenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Ethylsulfinylphenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for p-Ethylsulfinylphenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.