(S)-3-Methylthiohexyl hexanoate
TL;DR: (S)-3-Methylthiohexyl hexanoate (CAS 145937-82-2) 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.
3-methylsulfanylhexyl hexanoate
Also Known As: (S)-3-Methylthiohexyl hexanoate, 3-(Methylthio)hexyl hexanoate, 3-methylsulanylhexyl hexanoate, 3-methylsulfanylhexyl hexanoate, 3-(Methylsulfanyl)hexyl hexanoate
| Molecular Formula | C13H26O2S |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 246.16534 |
| Heavy Atoms | 16 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 145937-82-2 |
|---|---|
| SMILES | CCCCCC(=O)OCCC(CCC)SC |
| InChIKey | YCHLQQVZMIQEAC-UHFFFAOYSA-N |
Product Overview
(S)-3-Methylthiohexyl hexanoate (CAS 145937-82-2), with molecular formula C13H26O2S and molecular weight 246.17 g/mol. IUPAC: 3-methylsulfanylhexyl hexanoate.
Chemical Property Profile of (S)-3-Methylthiohexyl hexanoate
Property Insights of (S)-3-Methylthiohexyl hexanoate
The XLogP value of 4.4 indicates that (S)-3-Methylthiohexyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, (S)-3-Methylthiohexyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-Methylthiohexyl hexanoate 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 (S)-3-Methylthiohexyl hexanoate?
The CAS number of (S)-3-Methylthiohexyl hexanoate is 145937-82-2.
What is the molecular formula of (S)-3-Methylthiohexyl hexanoate?
The molecular formula of (S)-3-Methylthiohexyl hexanoate is C13H26O2S.
What is the molecular weight of (S)-3-Methylthiohexyl hexanoate?
The molecular weight of (S)-3-Methylthiohexyl hexanoate is 246.17 g/mol.
Where can I buy (S)-3-Methylthiohexyl hexanoate?
You can request a quote for (S)-3-Methylthiohexyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Methylthiohexyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Methylthiohexyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.