Ethyl hex-4-ynoate
TL;DR: Ethyl hex-4-ynoate (CAS 501009-56-9) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl hex-4-ynoate
Also Known As: Ethyl Hex-4-ynoate, 4-Hexynoic acid, ethyl ester
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.353 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 150.37587 |
Chemical Identifiers
| CAS Number | 501009-56-9 |
|---|---|
| SMILES | CCOC(=O)CCC#CC |
Product Overview
Ethyl hex-4-ynoate (CAS 501009-56-9), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: ethyl hex-4-ynoate.
Chemical Property Profile of Ethyl hex-4-ynoate
Property Insights of Ethyl hex-4-ynoate
The XLogP value of 1.353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hex-4-ynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl hex-4-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hex-4-ynoate has 0 hydrogen bond donor(s) and 2 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 hex-4-ynoate?
The CAS number of Ethyl hex-4-ynoate is 501009-56-9.
What is the molecular formula of Ethyl hex-4-ynoate?
The molecular formula of Ethyl hex-4-ynoate is C8H12O2.
What is the molecular weight of Ethyl hex-4-ynoate?
The molecular weight of Ethyl hex-4-ynoate is 140.08 g/mol.
Where can I buy Ethyl hex-4-ynoate?
You can request a quote for Ethyl hex-4-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hex-4-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hex-4-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.