(Methylthio)methyl isovalerate
TL;DR: (Methylthio)methyl isovalerate (CAS 72064-62-1) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfanylmethyl 3-methylbutanoate
Also Known As: methylisovalerate, (Methylthio)methyl isovalerate, Methylthiomethyl Isovalerate, EINECS 276-311-2, methylsulfanylmethyl 3-methylbutanoate
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.8962 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 101.77923 |
Chemical Identifiers
| CAS Number | 72064-62-1 |
|---|---|
| SMILES | CC(C)CC(=O)OCSC |
Product Overview
(Methylthio)methyl isovalerate (CAS 72064-62-1), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: methylsulfanylmethyl 3-methylbutanoate.
Chemical Property Profile of (Methylthio)methyl isovalerate
Property Insights of (Methylthio)methyl isovalerate
The XLogP value of 1.8962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methylthio)methyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, (Methylthio)methyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methylthio)methyl 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 (Methylthio)methyl isovalerate?
The CAS number of (Methylthio)methyl isovalerate is 72064-62-1.
What is the molecular formula of (Methylthio)methyl isovalerate?
The molecular formula of (Methylthio)methyl isovalerate is C7H14O2S.
What is the molecular weight of (Methylthio)methyl isovalerate?
The molecular weight of (Methylthio)methyl isovalerate is 162.07 g/mol.
Where can I buy (Methylthio)methyl isovalerate?
You can request a quote for (Methylthio)methyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methylthio)methyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for (Methylthio)methyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.