Methyl phenylmethanesulfonate
TL;DR: Methyl phenylmethanesulfonate (CAS 28804-47-9) 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.
methyl phenylmethanesulfonate
Also Known As: methyl phenylmethanesulfonate, Methyl toluenesulphonate, methoxysulfonylmethylbenzene, Methyl toluenesulfonate, Benzylsulfonsaeure-methylester
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 28804-47-9 |
|---|---|
| SMILES | COS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | MNRGFUBMMILKAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenylmethanesulfonate (CAS 28804-47-9), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: methyl phenylmethanesulfonate.
Chemical Property Profile of Methyl phenylmethanesulfonate
Property Insights of Methyl phenylmethanesulfonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenylmethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl phenylmethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenylmethanesulfonate 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 Methyl phenylmethanesulfonate?
The CAS number of Methyl phenylmethanesulfonate is 28804-47-9.
What is the molecular formula of Methyl phenylmethanesulfonate?
The molecular formula of Methyl phenylmethanesulfonate is C8H10O3S.
What is the molecular weight of Methyl phenylmethanesulfonate?
The molecular weight of Methyl phenylmethanesulfonate is 186.04 g/mol.
Where can I buy Methyl phenylmethanesulfonate?
You can request a quote for Methyl phenylmethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenylmethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenylmethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.