Decyl 3-mercaptopropionate
TL;DR: Decyl 3-mercaptopropionate (CAS 45180-55-0) is a chemical compound with molecular formula C13H26O2S and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 3-sulfanylpropanoate
Also Known As: Decyl 3-mercaptopropionate, decyl 3-sulfanylpropanoate, Decyl 3-mercaptopropanoate, EINECS 256-202-6, 3-Mercaptopropanoic acid decyl ester
| Molecular Formula | C13H26O2S |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 3.9902 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 246.16534 |
| Heavy Atoms | 16 |
| Complexity | 160.01158 |
Chemical Identifiers
| CAS Number | 45180-55-0 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CCS |
Product Overview
Decyl 3-mercaptopropionate (CAS 45180-55-0), with molecular formula C13H26O2S and molecular weight 246.17 g/mol. IUPAC: decyl 3-sulfanylpropanoate.
Chemical Property Profile of Decyl 3-mercaptopropionate
Property Insights of Decyl 3-mercaptopropionate
The XLogP value of 3.9902 indicates that Decyl 3-mercaptopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Decyl 3-mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 3-mercaptopropionate 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 Decyl 3-mercaptopropionate?
The CAS number of Decyl 3-mercaptopropionate is 45180-55-0.
What is the molecular formula of Decyl 3-mercaptopropionate?
The molecular formula of Decyl 3-mercaptopropionate is C13H26O2S.
What is the molecular weight of Decyl 3-mercaptopropionate?
The molecular weight of Decyl 3-mercaptopropionate is 246.17 g/mol.
Where can I buy Decyl 3-mercaptopropionate?
You can request a quote for Decyl 3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.