Methyl 2-acetyloctanoate
TL;DR: Methyl 2-acetyloctanoate (CAS 70203-04-2) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloctanoate
Also Known As: Methyl 2-acetyloctanoate, Methyl 2-hexylacetoacetate, 2-acetyl-octanoic acid methyl ester, Methyl n-hexylacetoacetate, methyl-2-hexyl-3-oxobutyrate
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.335 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 186.97166 |
Chemical Identifiers
| CAS Number | 70203-04-2 |
|---|---|
| SMILES | CCCCCCC(C(=O)C)C(=O)OC |
Product Overview
Methyl 2-acetyloctanoate (CAS 70203-04-2), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: methyl 2-acetyloctanoate.
Chemical Property Profile of Methyl 2-acetyloctanoate
Property Insights of Methyl 2-acetyloctanoate
The XLogP value of 2.335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetyloctanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-acetyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetyloctanoate 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 Methyl 2-acetyloctanoate?
The CAS number of Methyl 2-acetyloctanoate is 70203-04-2.
What is the molecular formula of Methyl 2-acetyloctanoate?
The molecular formula of Methyl 2-acetyloctanoate is C11H20O3.
What is the molecular weight of Methyl 2-acetyloctanoate?
The molecular weight of Methyl 2-acetyloctanoate is 200.14 g/mol.
Where can I buy Methyl 2-acetyloctanoate?
You can request a quote for Methyl 2-acetyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.