Methyl 4-acetoxyoctanoate
TL;DR: Methyl 4-acetoxyoctanoate (CAS 60121-04-2) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetyloxyoctanoate
Also Known As: methyl 4-acetoxyoctanoate, methyl 4-acetyloxyoctanoate, methyl4-acetoxyoctanoate, 4-acetoxy-octanoic acid methyl ester, METHYL 4-(ACETYLOXY)OCTANOATE
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 60121-04-2 |
|---|---|
| SMILES | CCCCC(CCC(=O)OC)OC(=O)C |
| InChIKey | USUFETQYKYBUHJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-acetoxyoctanoate (CAS 60121-04-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: methyl 4-acetyloxyoctanoate.
Chemical Property Profile of Methyl 4-acetoxyoctanoate
Property Insights of Methyl 4-acetoxyoctanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetoxyoctanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-acetoxyoctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-acetoxyoctanoate has 0 hydrogen bond donor(s) and 4 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 4-acetoxyoctanoate?
The CAS number of Methyl 4-acetoxyoctanoate is 60121-04-2.
What is the molecular formula of Methyl 4-acetoxyoctanoate?
The molecular formula of Methyl 4-acetoxyoctanoate is C11H20O4.
What is the molecular weight of Methyl 4-acetoxyoctanoate?
The molecular weight of Methyl 4-acetoxyoctanoate is 216.14 g/mol.
Where can I buy Methyl 4-acetoxyoctanoate?
You can request a quote for Methyl 4-acetoxyoctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-acetoxyoctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-acetoxyoctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.