Pentyl 3-(methylthio)propionate
TL;DR: Pentyl 3-(methylthio)propionate (CAS 93762-35-7) 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.
pentyl 3-methylsulfanylpropanoate
Also Known As: Pentyl 3-(methylthio)propionate, pentyl 3-methylsulfanylpropanoate, EINECS 297-748-5, Isoamyl 3-(methylthio)propionate, Isopentyl 3-methylsulfanylpropanoate
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.5 |
| 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 | 93762-35-7 |
|---|---|
| SMILES | CCCCCOC(=O)CCSC |
| InChIKey | VSCXQPTWKZWPQB-UHFFFAOYSA-N |
Product Overview
Pentyl 3-(methylthio)propionate (CAS 93762-35-7), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: pentyl 3-methylsulfanylpropanoate.
Chemical Property Profile of Pentyl 3-(methylthio)propionate
Property Insights of Pentyl 3-(methylthio)propionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 3-(methylthio)propionate. With a topological polar surface area (TPSA) of 51.6 Ų, Pentyl 3-(methylthio)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 3-(methylthio)propionate 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 Pentyl 3-(methylthio)propionate?
The CAS number of Pentyl 3-(methylthio)propionate is 93762-35-7.
What is the molecular formula of Pentyl 3-(methylthio)propionate?
The molecular formula of Pentyl 3-(methylthio)propionate is C9H18O2S.
What is the molecular weight of Pentyl 3-(methylthio)propionate?
The molecular weight of Pentyl 3-(methylthio)propionate is 190.10 g/mol.
Where can I buy Pentyl 3-(methylthio)propionate?
You can request a quote for Pentyl 3-(methylthio)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3-(methylthio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3-(methylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.