butyl (2S)-2-methylbutanoate
TL;DR: butyl (2S)-2-methylbutanoate (CAS 72447-48-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2S)-2-methylbutanoate
Also Known As: Butyl 2-methylbutyrate, butyl (2S)-2-methylbutanoate, 2-methyl-butanoic acid butyl ester, [S,(+)]-2-Methylbutyric acid butyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.3758 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.13036 |
Chemical Identifiers
| CAS Number | 72447-48-4 |
|---|---|
| SMILES | CCCCOC(=O)[C@@H](C)CC |
Product Overview
butyl (2S)-2-methylbutanoate (CAS 72447-48-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: butyl (2S)-2-methylbutanoate.
Chemical Property Profile of butyl (2S)-2-methylbutanoate
Property Insights of butyl (2S)-2-methylbutanoate
The XLogP value of 2.3758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl (2S)-2-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, butyl (2S)-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl (2S)-2-methylbutanoate has 0 hydrogen bond donor(s) and 2 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 butyl (2S)-2-methylbutanoate?
The CAS number of butyl (2S)-2-methylbutanoate is 72447-48-4.
What is the molecular formula of butyl (2S)-2-methylbutanoate?
The molecular formula of butyl (2S)-2-methylbutanoate is C9H18O2.
What is the molecular weight of butyl (2S)-2-methylbutanoate?
The molecular weight of butyl (2S)-2-methylbutanoate is 158.13 g/mol.
Where can I buy butyl (2S)-2-methylbutanoate?
You can request a quote for butyl (2S)-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl (2S)-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for butyl (2S)-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.