3-Methoxy-5,7,7-trimethyloctanoic acid
TL;DR: 3-Methoxy-5,7,7-trimethyloctanoic acid (CAS 68973-58-0) 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.
3-methoxy-5,7,7-trimethyloctanoic acid
Also Known As: 3-methoxy-5,7,7-trimethyloctanoic acid
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 68973-58-0 |
|---|---|
| SMILES | CC(CC(CC(=O)O)OC)CC(C)(C)C |
| InChIKey | YDEMTSOBLWQIAR-UHFFFAOYSA-N |
Product Overview
3-Methoxy-5,7,7-trimethyloctanoic acid (CAS 68973-58-0), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: 3-methoxy-5,7,7-trimethyloctanoic acid.
Chemical Property Profile of 3-Methoxy-5,7,7-trimethyloctanoic acid
Property Insights of 3-Methoxy-5,7,7-trimethyloctanoic acid
The XLogP value of 3.1 indicates that 3-Methoxy-5,7,7-trimethyloctanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methoxy-5,7,7-trimethyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-5,7,7-trimethyloctanoic acid has 1 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 3-Methoxy-5,7,7-trimethyloctanoic acid?
The CAS number of 3-Methoxy-5,7,7-trimethyloctanoic acid is 68973-58-0.
What is the molecular formula of 3-Methoxy-5,7,7-trimethyloctanoic acid?
The molecular formula of 3-Methoxy-5,7,7-trimethyloctanoic acid is C12H24O3.
What is the molecular weight of 3-Methoxy-5,7,7-trimethyloctanoic acid?
The molecular weight of 3-Methoxy-5,7,7-trimethyloctanoic acid is 216.17 g/mol.
Where can I buy 3-Methoxy-5,7,7-trimethyloctanoic acid?
You can request a quote for 3-Methoxy-5,7,7-trimethyloctanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-5,7,7-trimethyloctanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-5,7,7-trimethyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.