Methyl (2S)-2-methylbutanoate
TL;DR: Methyl (2S)-2-methylbutanoate (CAS 10307-60-5) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-methylbutanoate
Also Known As: methyl (2S)-2-methylbutanoate, starbld0000993, D-methyl 2-methylbutyrate, Methyl (S)-2-Methylbutanoate, (S)-2-Methylbutanoic acid methyl ester
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 10307-60-5 |
|---|---|
| SMILES | CC[C@H](C)C(=O)OC |
| InChIKey | OCWLYWIFNDCWRZ-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (2S)-2-methylbutanoate (CAS 10307-60-5), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: methyl (2S)-2-methylbutanoate.
Chemical Property Profile of Methyl (2S)-2-methylbutanoate
Property Insights of Methyl (2S)-2-methylbutanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2S)-2-methylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (2S)-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (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 Methyl (2S)-2-methylbutanoate?
The CAS number of Methyl (2S)-2-methylbutanoate is 10307-60-5.
What is the molecular formula of Methyl (2S)-2-methylbutanoate?
The molecular formula of Methyl (2S)-2-methylbutanoate is C6H12O2.
What is the molecular weight of Methyl (2S)-2-methylbutanoate?
The molecular weight of Methyl (2S)-2-methylbutanoate is 116.08 g/mol.
Where can I buy Methyl (2S)-2-methylbutanoate?
You can request a quote for Methyl (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 Methyl (2S)-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2S)-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.