Ethyl 5-hydroxyhept-2-enoate
TL;DR: Ethyl 5-hydroxyhept-2-enoate (CAS 6065-33-4) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxyhept-2-enoate
Also Known As: ethyl 5-hydroxyhept-2-enoate, ethyl (Z)-5-hydroxyhept-2-enoate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 6065-33-4 |
|---|---|
| SMILES | CCC(CC=CC(=O)OCC)O |
| InChIKey | RINIMYAXBBYYGU-UHFFFAOYSA-N |
Product Overview
Ethyl 5-hydroxyhept-2-enoate (CAS 6065-33-4), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 5-hydroxyhept-2-enoate.
Chemical Property Profile of Ethyl 5-hydroxyhept-2-enoate
Property Insights of Ethyl 5-hydroxyhept-2-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-hydroxyhept-2-enoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 5-hydroxyhept-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-hydroxyhept-2-enoate 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 5-hydroxyhept-2-enoate?
The CAS number of Ethyl 5-hydroxyhept-2-enoate is 6065-33-4.
What is the molecular formula of Ethyl 5-hydroxyhept-2-enoate?
The molecular formula of Ethyl 5-hydroxyhept-2-enoate is C9H16O3.
What is the molecular weight of Ethyl 5-hydroxyhept-2-enoate?
The molecular weight of Ethyl 5-hydroxyhept-2-enoate is 172.11 g/mol.
Where can I buy Ethyl 5-hydroxyhept-2-enoate?
You can request a quote for Ethyl 5-hydroxyhept-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-hydroxyhept-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-hydroxyhept-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.