Propyl 3-mercaptopropanoate
TL;DR: Propyl 3-mercaptopropanoate (CAS 165804-07-9) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-sulfanylpropanoate
Also Known As: Propyl 3-mercaptopropanoate, propyl 3-sulfanylpropanoate, N-PROPYL 3-MERCAPTOPROPIONATE, Propyl3-mercaptopropanoate, n-Propyl 3-mercaptopropanoate
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.2595 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 83.127045 |
Chemical Identifiers
| CAS Number | 165804-07-9 |
|---|---|
| SMILES | CCCOC(=O)CCS |
Product Overview
Propyl 3-mercaptopropanoate (CAS 165804-07-9), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: propyl 3-sulfanylpropanoate.
Chemical Property Profile of Propyl 3-mercaptopropanoate
Property Insights of Propyl 3-mercaptopropanoate
The XLogP value of 1.2595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 3-mercaptopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 3-mercaptopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 3-mercaptopropanoate has 1 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 Propyl 3-mercaptopropanoate?
The CAS number of Propyl 3-mercaptopropanoate is 165804-07-9.
What is the molecular formula of Propyl 3-mercaptopropanoate?
The molecular formula of Propyl 3-mercaptopropanoate is C6H12O2S.
What is the molecular weight of Propyl 3-mercaptopropanoate?
The molecular weight of Propyl 3-mercaptopropanoate is 148.06 g/mol.
Where can I buy Propyl 3-mercaptopropanoate?
You can request a quote for Propyl 3-mercaptopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 3-mercaptopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 3-mercaptopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.