3-(丁硫基)丙酸乙酯
TL;DR: 3-(丁硫基)丙酸乙酯 (CAS 68298-26-0) is a chemical compound with molecular formula C9H18O2S and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(丁硫基)丙酸乙酯
ethyl 3-butylsulfanylpropanoate
Also Known As: ethyl 3-(butylsulfanyl)propanoate, ethyl 3-butylsulfanylpropanoate, Propanoic acid, 3-(butylthio)-, ethyl ester, ethyl 3-butylthiopropanoate, Ethyl 3-(butylthio)propanoate
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 68298-26-0 |
|---|---|
| SMILES | CCCCSCCC(=O)OCC |
| InChIKey | LVRFKDKDRMPZQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(丁硫基)丙酸乙酯 (CAS 68298-26-0), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: ethyl 3-butylsulfanylpropanoate.
Chemical Property Profile of 3-(丁硫基)丙酸乙酯
Property Insights of 3-(丁硫基)丙酸乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(丁硫基)丙酸乙酯. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(丁硫基)丙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(丁硫基)丙酸乙酯 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 3-(丁硫基)丙酸乙酯?
The CAS number of 3-(丁硫基)丙酸乙酯 is 68298-26-0.
What is the molecular formula of 3-(丁硫基)丙酸乙酯?
The molecular formula of 3-(丁硫基)丙酸乙酯 is C9H18O2S.
What is the molecular weight of 3-(丁硫基)丙酸乙酯?
The molecular weight of 3-(丁硫基)丙酸乙酯 is 190.10 g/mol.
Where can I buy 3-(丁硫基)丙酸乙酯?
You can request a quote for 3-(丁硫基)丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(丁硫基)丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(丁硫基)丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.