3-(Methylthio)propyl isovalerate
TL;DR: 3-(Methylthio)propyl isovalerate (CAS 84559-98-8) 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-methylsulfanylpropyl 3-methylbutanoate
Also Known As: 3-(Methylthio)propyl isovalerate, EINECS 283-185-2, 3-methylsulfanylpropyl 3-methylbutanoate, 3-(Methylthio)propyl 3-methylbutanoate, 3-(METHYLSULFANYL)PROPYL 3-METHYLBUTANOATE
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.3288 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 123.696945 |
Chemical Identifiers
| CAS Number | 84559-98-8 |
|---|---|
| SMILES | CC(C)CC(=O)OCCCSC |
Product Overview
3-(Methylthio)propyl isovalerate (CAS 84559-98-8), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: 3-methylsulfanylpropyl 3-methylbutanoate.
Chemical Property Profile of 3-(Methylthio)propyl isovalerate
Property Insights of 3-(Methylthio)propyl isovalerate
The XLogP value of 2.3288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)propyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(Methylthio)propyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)propyl isovalerate 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-(Methylthio)propyl isovalerate?
The CAS number of 3-(Methylthio)propyl isovalerate is 84559-98-8.
What is the molecular formula of 3-(Methylthio)propyl isovalerate?
The molecular formula of 3-(Methylthio)propyl isovalerate is C9H18O2S.
What is the molecular weight of 3-(Methylthio)propyl isovalerate?
The molecular weight of 3-(Methylthio)propyl isovalerate is 190.10 g/mol.
Where can I buy 3-(Methylthio)propyl isovalerate?
You can request a quote for 3-(Methylthio)propyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)propyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)propyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.