4-氟丁硫代酸甲酯
TL;DR: 4-氟丁硫代酸甲酯 (CAS 63732-24-1) is a chemical compound with molecular formula C5H9FOS and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟丁硫代酸甲酯
S-methyl 4-fluorobutanethioate
Also Known As: Methyl gamma-fluorothiolbutyrate, S-methyl 4-fluorobutanethioate, BUTANETHIOIC ACID, 4-FLUORO-, METHYL ESTER, Butyric acid, 4-fluorothio-, methyl ester, 4-fluorothiobutyric acid, S-methyl ester
| Molecular Formula | C5H9FOS |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.03581 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 63732-24-1 |
|---|---|
| SMILES | CSC(=O)CCCF |
| InChIKey | NRBCPECJMAFRGV-UHFFFAOYSA-N |
Product Overview
4-氟丁硫代酸甲酯 (CAS 63732-24-1), with molecular formula C5H9FOS and molecular weight 136.04 g/mol. IUPAC: S-methyl 4-fluorobutanethioate.
Chemical Property Profile of 4-氟丁硫代酸甲酯
Property Insights of 4-氟丁硫代酸甲酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟丁硫代酸甲酯. With a topological polar surface area (TPSA) of 42.4 Ų, 4-氟丁硫代酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟丁硫代酸甲酯 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-氟丁硫代酸甲酯?
The CAS number of 4-氟丁硫代酸甲酯 is 63732-24-1.
What is the molecular formula of 4-氟丁硫代酸甲酯?
The molecular formula of 4-氟丁硫代酸甲酯 is C5H9FOS.
What is the molecular weight of 4-氟丁硫代酸甲酯?
The molecular weight of 4-氟丁硫代酸甲酯 is 136.04 g/mol.
Where can I buy 4-氟丁硫代酸甲酯?
You can request a quote for 4-氟丁硫代酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟丁硫代酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氟丁硫代酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.