p-Ethylsulfonylphenyl methanesulfonate
TL;DR: p-Ethylsulfonylphenyl methanesulfonate (CAS 36116-16-2) is a chemical compound with molecular formula C9H12O5S2 and molecular weight 264.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfonylphenyl) methanesulfonate
Also Known As: p-Ethylsulfonylphenyl methanesulfonate, (4-ethylsulfonylphenyl) methanesulfonate, 4-(Ethanesulfonyl)phenyl methanesulfonate, 1-ethylsulfonyl-4-methylsulfonyloxy-benzene, Phenol, 4-(ethylsulfonyl)-, 1-methanesulfonate
| Molecular Formula | C9H12O5S2 |
|---|---|
| Molecular Weight | 264.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.0126 |
| Heavy Atoms | 16 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 36116-16-2 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)C |
| InChIKey | HYFOHUMMPCQYCH-UHFFFAOYSA-N |
Product Overview
p-Ethylsulfonylphenyl methanesulfonate (CAS 36116-16-2), with molecular formula C9H12O5S2 and molecular weight 264.01 g/mol. IUPAC: (4-ethylsulfonylphenyl) methanesulfonate.
Chemical Property Profile of p-Ethylsulfonylphenyl methanesulfonate
Property Insights of p-Ethylsulfonylphenyl methanesulfonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Ethylsulfonylphenyl methanesulfonate. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Ethylsulfonylphenyl methanesulfonate. Following Lipinski's Rule of Five, p-Ethylsulfonylphenyl 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-Ethylsulfonylphenyl methanesulfonate?
The CAS number of p-Ethylsulfonylphenyl methanesulfonate is 36116-16-2.
What is the molecular formula of p-Ethylsulfonylphenyl methanesulfonate?
The molecular formula of p-Ethylsulfonylphenyl methanesulfonate is C9H12O5S2.
What is the molecular weight of p-Ethylsulfonylphenyl methanesulfonate?
The molecular weight of p-Ethylsulfonylphenyl methanesulfonate is 264.01 g/mol.
Where can I buy p-Ethylsulfonylphenyl methanesulfonate?
You can request a quote for p-Ethylsulfonylphenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Ethylsulfonylphenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for p-Ethylsulfonylphenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.