Ethyl 7-hydroxyheptanoate
TL;DR: Ethyl 7-hydroxyheptanoate (CAS 6149-48-0) 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.
ethyl 7-hydroxyheptanoate
Also Known As: ethyl 7-hydroxyheptanoate, ethyl7-hydroxyheptanoate, 7-hydroxyHeptanoic acid ethyl ester, ethyl ester of 7-hydroxyheptanoic acid, 7-hydroxy-heptanoic acid ethyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.4923 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.34128 |
Chemical Identifiers
| CAS Number | 6149-48-0 |
|---|---|
| SMILES | CCOC(=O)CCCCCCO |
Product Overview
Ethyl 7-hydroxyheptanoate (CAS 6149-48-0), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: ethyl 7-hydroxyheptanoate.
Chemical Property Profile of Ethyl 7-hydroxyheptanoate
Property Insights of Ethyl 7-hydroxyheptanoate
The XLogP value of 1.4923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-hydroxyheptanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl 7-hydroxyheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-hydroxyheptanoate 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 Ethyl 7-hydroxyheptanoate?
The CAS number of Ethyl 7-hydroxyheptanoate is 6149-48-0.
What is the molecular formula of Ethyl 7-hydroxyheptanoate?
The molecular formula of Ethyl 7-hydroxyheptanoate is C9H18O3.
What is the molecular weight of Ethyl 7-hydroxyheptanoate?
The molecular weight of Ethyl 7-hydroxyheptanoate is 174.13 g/mol.
Where can I buy Ethyl 7-hydroxyheptanoate?
You can request a quote for Ethyl 7-hydroxyheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-hydroxyheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-hydroxyheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.