4-Fluorophenyl methanesulfonate
TL;DR: 4-Fluorophenyl methanesulfonate (CAS 72358-72-6) is a chemical compound with molecular formula C7H7FO3S and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) methanesulfonate
Also Known As: 4-fluorophenyl methanesulfonate, (4-fluorophenyl) methanesulfonate, 4-fluorophenylmethanesulfonate, Methanesulfonic acid 4-fluorophenyl ester, 1-fluoro-4-methylsulfonyloxy-benzene
| Molecular Formula | C7H7FO3S |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | 1.1641 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.01 |
| Heavy Atoms | 12 |
| Complexity | 354.7428 |
Chemical Identifiers
| CAS Number | 72358-72-6 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=C(C=C1)F |
Product Overview
4-Fluorophenyl methanesulfonate (CAS 72358-72-6), with molecular formula C7H7FO3S and molecular weight 190.01 g/mol. IUPAC: (4-fluorophenyl) methanesulfonate.
Chemical Property Profile of 4-Fluorophenyl methanesulfonate
Property Insights of 4-Fluorophenyl methanesulfonate
The XLogP value of 1.1641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenyl methanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Fluorophenyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl methanesulfonate 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 4-Fluorophenyl methanesulfonate?
The CAS number of 4-Fluorophenyl methanesulfonate is 72358-72-6.
What is the molecular formula of 4-Fluorophenyl methanesulfonate?
The molecular formula of 4-Fluorophenyl methanesulfonate is C7H7FO3S.
What is the molecular weight of 4-Fluorophenyl methanesulfonate?
The molecular weight of 4-Fluorophenyl methanesulfonate is 190.01 g/mol.
Where can I buy 4-Fluorophenyl methanesulfonate?
You can request a quote for 4-Fluorophenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.