Methyl 7-methoxy-3,7-dimethyloctanoate
TL;DR: Methyl 7-methoxy-3,7-dimethyloctanoate (CAS 69687-76-9) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-methoxy-3,7-dimethyloctanoate
Also Known As: Methyl 7-methoxy-3,7-dimethyloctanoate, Methyl 7-methoxy-3,7-dimethyloctanoate #, 7-Methoxy-3,7-dimethyloctanoicacidmethylester, Octanoic acid, 7-methoxy-3,7-dimethyl-, methyl ester, 7-Methoxy-3,7-dimethyloctanoic acid methyl ester
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 69687-76-9 |
|---|---|
| SMILES | CC(CCCC(C)(C)OC)CC(=O)OC |
| InChIKey | SQHGQUUHUFEFJT-UHFFFAOYSA-N |
Product Overview
Methyl 7-methoxy-3,7-dimethyloctanoate (CAS 69687-76-9), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: methyl 7-methoxy-3,7-dimethyloctanoate.
Chemical Property Profile of Methyl 7-methoxy-3,7-dimethyloctanoate
Property Insights of Methyl 7-methoxy-3,7-dimethyloctanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-methoxy-3,7-dimethyloctanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 7-methoxy-3,7-dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-methoxy-3,7-dimethyloctanoate 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 7-methoxy-3,7-dimethyloctanoate?
The CAS number of Methyl 7-methoxy-3,7-dimethyloctanoate is 69687-76-9.
What is the molecular formula of Methyl 7-methoxy-3,7-dimethyloctanoate?
The molecular formula of Methyl 7-methoxy-3,7-dimethyloctanoate is C12H24O3.
What is the molecular weight of Methyl 7-methoxy-3,7-dimethyloctanoate?
The molecular weight of Methyl 7-methoxy-3,7-dimethyloctanoate is 216.17 g/mol.
Where can I buy Methyl 7-methoxy-3,7-dimethyloctanoate?
You can request a quote for Methyl 7-methoxy-3,7-dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-methoxy-3,7-dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-methoxy-3,7-dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.