Methyl 2-hexoxyacetate
TL;DR: Methyl 2-hexoxyacetate (CAS 70038-38-9) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hexoxyacetate
Also Known As: methyl 2-hexoxyacetate, Methyl (hexyloxy)acetate
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 70038-38-9 |
|---|---|
| SMILES | CCCCCCOCC(=O)OC |
| InChIKey | KKQCNZLPPHGLBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hexoxyacetate (CAS 70038-38-9), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: methyl 2-hexoxyacetate.
Chemical Property Profile of Methyl 2-hexoxyacetate
Property Insights of Methyl 2-hexoxyacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hexoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-hexoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexoxyacetate 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-hexoxyacetate?
The CAS number of Methyl 2-hexoxyacetate is 70038-38-9.
What is the molecular formula of Methyl 2-hexoxyacetate?
The molecular formula of Methyl 2-hexoxyacetate is C9H18O3.
What is the molecular weight of Methyl 2-hexoxyacetate?
The molecular weight of Methyl 2-hexoxyacetate is 174.13 g/mol.
Where can I buy Methyl 2-hexoxyacetate?
You can request a quote for Methyl 2-hexoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.