Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester
TL;DR: Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester (CAS 69653-76-5) 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 7-hydroxy-3,7-dimethyloctanoate
Also Known As: Methyl 7-hydroxy-3,7-dimethyloctanoate, 7-Hydroxy-3,7-dimethyloctanoicacidmethylester, Methyl 7-hydroxy-3,7-dimethyloctanoate #, Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester, 7-Hydroxy-3,7-dimethyloctanoic acid methyl ester
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 69653-76-5 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CC(=O)OC |
| InChIKey | ZACBVWZKNMSLMF-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester (CAS 69653-76-5), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: methyl 7-hydroxy-3,7-dimethyloctanoate.
Chemical Property Profile of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester
Property Insights of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester 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 Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester?
The CAS number of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester is 69653-76-5.
What is the molecular formula of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester?
The molecular formula of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester is C11H22O3.
What is the molecular weight of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester?
The molecular weight of Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester is 202.16 g/mol.
Where can I buy Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester?
You can request a quote for Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 7-hydroxy-3,7-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.