Hex-2-ynal, 4-ethyl-
TL;DR: Hex-2-ynal, 4-ethyl- (CAS 71932-97-3) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylhex-2-ynal
Also Known As: 4-Ethyl-2-hexynal, 4-ethylhex-2-ynal, Hex-2-ynal, 4-ethyl-, 2-Hexynal, 4-ethyl-
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 71932-97-3 |
|---|---|
| SMILES | CCC(CC)C#CC=O |
| InChIKey | XZYAPQCJDYFPBN-UHFFFAOYSA-N |
Product Overview
Hex-2-ynal, 4-ethyl- (CAS 71932-97-3), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 4-ethylhex-2-ynal.
Chemical Property Profile of Hex-2-ynal, 4-ethyl-
Property Insights of Hex-2-ynal, 4-ethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-2-ynal, 4-ethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Hex-2-ynal, 4-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-2-ynal, 4-ethyl- has 0 hydrogen bond donor(s) and 1 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 Hex-2-ynal, 4-ethyl-?
The CAS number of Hex-2-ynal, 4-ethyl- is 71932-97-3.
What is the molecular formula of Hex-2-ynal, 4-ethyl-?
The molecular formula of Hex-2-ynal, 4-ethyl- is C8H12O.
What is the molecular weight of Hex-2-ynal, 4-ethyl-?
The molecular weight of Hex-2-ynal, 4-ethyl- is 124.09 g/mol.
Where can I buy Hex-2-ynal, 4-ethyl-?
You can request a quote for Hex-2-ynal, 4-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-2-ynal, 4-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hex-2-ynal, 4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.