1-Butanol, 4-fluoro-, methanesulfonate
TL;DR: 1-Butanol, 4-fluoro-, methanesulfonate (CAS 592-61-0) is a chemical compound with molecular formula C5H11FO3S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobutyl methanesulfonate
Also Known As: 4-Fluorobutyl methanesulfonate, 4-Fluorobutyl mesylate, 4-Fluorobutylmesylate, 4-Fluoro-1-butyl methanesulfonate, 4-Fluorobutyl methanesulphonate
| Molecular Formula | C5H11FO3S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.04129 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 592-61-0 |
|---|---|
| SMILES | CS(=O)(=O)OCCCCF |
| InChIKey | ZCFWEKWCFXVHSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanol, 4-fluoro-, methanesulfonate (CAS 592-61-0), with molecular formula C5H11FO3S and molecular weight 170.04 g/mol. IUPAC: 4-fluorobutyl methanesulfonate.
Chemical Property Profile of 1-Butanol, 4-fluoro-, methanesulfonate
Property Insights of 1-Butanol, 4-fluoro-, methanesulfonate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 4-fluoro-, methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Butanol, 4-fluoro-, methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 4-fluoro-, methanesulfonate has 0 hydrogen bond donor(s) and 4 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 1-Butanol, 4-fluoro-, methanesulfonate?
The CAS number of 1-Butanol, 4-fluoro-, methanesulfonate is 592-61-0.
What is the molecular formula of 1-Butanol, 4-fluoro-, methanesulfonate?
The molecular formula of 1-Butanol, 4-fluoro-, methanesulfonate is C5H11FO3S.
What is the molecular weight of 1-Butanol, 4-fluoro-, methanesulfonate?
The molecular weight of 1-Butanol, 4-fluoro-, methanesulfonate is 170.04 g/mol.
Where can I buy 1-Butanol, 4-fluoro-, methanesulfonate?
You can request a quote for 1-Butanol, 4-fluoro-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 4-fluoro-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 4-fluoro-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.