Ethyl 7-oxohept-2-enoate
TL;DR: Ethyl 7-oxohept-2-enoate (CAS 59612-36-1) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-oxohept-2-enoate
Also Known As: Ethyl 7-oxohept-2-enoate, ethyl 6-formylhex-2-enoate, E-7-ethoxy-7-oxo-5-heptenal, 2-Heptenoic acid, 7-oxo-, ethyl ester, (2E)-
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.4749 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 161.15659 |
Chemical Identifiers
| CAS Number | 59612-36-1 |
|---|---|
| SMILES | CCOC(=O)C=CCCCC=O |
Product Overview
Ethyl 7-oxohept-2-enoate (CAS 59612-36-1), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: ethyl 7-oxohept-2-enoate.
Chemical Property Profile of Ethyl 7-oxohept-2-enoate
Property Insights of Ethyl 7-oxohept-2-enoate
The XLogP value of 1.4749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-oxohept-2-enoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 7-oxohept-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-oxohept-2-enoate 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 Ethyl 7-oxohept-2-enoate?
The CAS number of Ethyl 7-oxohept-2-enoate is 59612-36-1.
What is the molecular formula of Ethyl 7-oxohept-2-enoate?
The molecular formula of Ethyl 7-oxohept-2-enoate is C9H14O3.
What is the molecular weight of Ethyl 7-oxohept-2-enoate?
The molecular weight of Ethyl 7-oxohept-2-enoate is 170.09 g/mol.
Where can I buy Ethyl 7-oxohept-2-enoate?
You can request a quote for Ethyl 7-oxohept-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 7-oxohept-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-oxohept-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.