Methyl 2-octoxyacetate
TL;DR: Methyl 2-octoxyacetate (CAS 70038-39-0) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-octoxyacetate
Also Known As: methyl 2-octoxyacetate, Methyl (octyloxy)acetate, octyloxy-acetic acid methyl ester, Acetic acid,2-(octyloxy)-, methyl ester
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 70038-39-0 |
|---|---|
| SMILES | CCCCCCCCOCC(=O)OC |
| InChIKey | LZSFRODOQOTONZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-octoxyacetate (CAS 70038-39-0), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: methyl 2-octoxyacetate.
Chemical Property Profile of Methyl 2-octoxyacetate
Property Insights of Methyl 2-octoxyacetate
The XLogP value of 3.4 indicates that Methyl 2-octoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-octoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-octoxyacetate 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-octoxyacetate?
The CAS number of Methyl 2-octoxyacetate is 70038-39-0.
What is the molecular formula of Methyl 2-octoxyacetate?
The molecular formula of Methyl 2-octoxyacetate is C11H22O3.
What is the molecular weight of Methyl 2-octoxyacetate?
The molecular weight of Methyl 2-octoxyacetate is 202.16 g/mol.
Where can I buy Methyl 2-octoxyacetate?
You can request a quote for Methyl 2-octoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-octoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-octoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.