Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester
TL;DR: Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester (CAS 100700-28-5) is a chemical compound with molecular formula C5H9FO2S and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl 4-fluoro-2-hydroxybutanethioate
Also Known As: TL 1427, S-methyl 4-fluoro-2-hydroxybutanethioate, BUTYRIC ACID, 4-FLUORO-2-HYDROXYTHIO-, S-METHYL ESTER, Butyric acid, gamma-fluoro-beta-hydroxy-, thiol-, methyl ester, 4-Fluoro-2-hydroxy(thiobutyric acid)S-methyl ester
| Molecular Formula | C5H9FO2S |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.03073 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 100700-28-5 |
|---|---|
| SMILES | CSC(=O)C(CCF)O |
| InChIKey | ASPNJYUDYUKRDH-UHFFFAOYSA-N |
Product Overview
Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester (CAS 100700-28-5), with molecular formula C5H9FO2S and molecular weight 152.03 g/mol. IUPAC: S-methyl 4-fluoro-2-hydroxybutanethioate.
Chemical Property Profile of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester
Property Insights of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester. Following Lipinski's Rule of Five, Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester has 1 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 Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester?
The CAS number of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester is 100700-28-5.
What is the molecular formula of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester?
The molecular formula of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester is C5H9FO2S.
What is the molecular weight of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester?
The molecular weight of Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester is 152.03 g/mol.
Where can I buy Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester?
You can request a quote for Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.