Methanesulfonic acid, 4-methylphenyl ester
TL;DR: Methanesulfonic acid, 4-methylphenyl ester (CAS 17177-63-8) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) methanesulfonate
Also Known As: p-Tolyl methanesulfonate, Methanesulfonic acid, 4-methylphenyl ester, 4-(Mesyloxy)toluene, (4-methylphenyl) methanesulfonate, 4-METHYLPHENYL METHANESULFONATE
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.33342 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 350.3943 |
Chemical Identifiers
| CAS Number | 17177-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C |
Product Overview
Methanesulfonic acid, 4-methylphenyl ester (CAS 17177-63-8), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: (4-methylphenyl) methanesulfonate.
Chemical Property Profile of Methanesulfonic acid, 4-methylphenyl ester
Property Insights of Methanesulfonic acid, 4-methylphenyl ester
The XLogP value of 1.33342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanesulfonic acid, 4-methylphenyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, Methanesulfonic acid, 4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanesulfonic acid, 4-methylphenyl ester 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 Methanesulfonic acid, 4-methylphenyl ester?
The CAS number of Methanesulfonic acid, 4-methylphenyl ester is 17177-63-8.
What is the molecular formula of Methanesulfonic acid, 4-methylphenyl ester?
The molecular formula of Methanesulfonic acid, 4-methylphenyl ester is C8H10O3S.
What is the molecular weight of Methanesulfonic acid, 4-methylphenyl ester?
The molecular weight of Methanesulfonic acid, 4-methylphenyl ester is 186.04 g/mol.
Where can I buy Methanesulfonic acid, 4-methylphenyl ester?
You can request a quote for Methanesulfonic acid, 4-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid, 4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.