Acetic acid, thio-, S-(4-fluorobutyl) ester
TL;DR: Acetic acid, thio-, S-(4-fluorobutyl) ester (CAS 373-11-5) is a chemical compound with molecular formula C6H11FOS and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-fluorobutyl) ethanethioate
Also Known As: 4-Fluorobutyl thiolacetate, ThioaceticacidS- ester, Butanethiol, 4-fluoro-, acetate, S-(4-fluorobutyl) ethanethioate, Heptadecanoic acid tryptamide
| Molecular Formula | C6H11FOS |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.05147 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 373-11-5 |
|---|---|
| SMILES | CC(=O)SCCCCF |
| InChIKey | YRZBWKXTJMKJIO-UHFFFAOYSA-N |
Product Overview
Acetic acid, thio-, S-(4-fluorobutyl) ester (CAS 373-11-5), with molecular formula C6H11FOS and molecular weight 150.05 g/mol. IUPAC: S-(4-fluorobutyl) ethanethioate.
Chemical Property Profile of Acetic acid, thio-, S-(4-fluorobutyl) ester
Property Insights of Acetic acid, thio-, S-(4-fluorobutyl) ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thio-, S-(4-fluorobutyl) ester. With a topological polar surface area (TPSA) of 42.4 Ų, Acetic acid, thio-, S-(4-fluorobutyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, thio-, S-(4-fluorobutyl) 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 Acetic acid, thio-, S-(4-fluorobutyl) ester?
The CAS number of Acetic acid, thio-, S-(4-fluorobutyl) ester is 373-11-5.
What is the molecular formula of Acetic acid, thio-, S-(4-fluorobutyl) ester?
The molecular formula of Acetic acid, thio-, S-(4-fluorobutyl) ester is C6H11FOS.
What is the molecular weight of Acetic acid, thio-, S-(4-fluorobutyl) ester?
The molecular weight of Acetic acid, thio-, S-(4-fluorobutyl) ester is 150.05 g/mol.
Where can I buy Acetic acid, thio-, S-(4-fluorobutyl) ester?
You can request a quote for Acetic acid, thio-, S-(4-fluorobutyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thio-, S-(4-fluorobutyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thio-, S-(4-fluorobutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.