2,4-Heptadien-6-ynal, (E,E)-
TL;DR: 2,4-Heptadien-6-ynal, (E,E)- (CAS 7200-04-6) is a chemical compound with molecular formula C7H6O and molecular weight 106.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-2,4-dien-6-ynal
Also Known As: 2,4-Heptadien-6-ynal, hepta-2,4-dien-6-ynal, 2,4-Heptadien-6-ynal, (E,E)-, RefChem:246729
| Molecular Formula | C7H6O |
|---|---|
| Molecular Weight | 106.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.04186 |
| Heavy Atoms | 8 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 7200-04-6 |
|---|---|
| SMILES | C#CC=CC=CC=O |
| InChIKey | MAMRPZLNRNLLQY-UHFFFAOYSA-N |
Product Overview
2,4-Heptadien-6-ynal, (E,E)- (CAS 7200-04-6), with molecular formula C7H6O and molecular weight 106.04 g/mol. IUPAC: hepta-2,4-dien-6-ynal.
Chemical Property Profile of 2,4-Heptadien-6-ynal, (E,E)-
Property Insights of 2,4-Heptadien-6-ynal, (E,E)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Heptadien-6-ynal, (E,E)-. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Heptadien-6-ynal, (E,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Heptadien-6-ynal, (E,E)- 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 2,4-Heptadien-6-ynal, (E,E)-?
The CAS number of 2,4-Heptadien-6-ynal, (E,E)- is 7200-04-6.
What is the molecular formula of 2,4-Heptadien-6-ynal, (E,E)-?
The molecular formula of 2,4-Heptadien-6-ynal, (E,E)- is C7H6O.
What is the molecular weight of 2,4-Heptadien-6-ynal, (E,E)-?
The molecular weight of 2,4-Heptadien-6-ynal, (E,E)- is 106.04 g/mol.
Where can I buy 2,4-Heptadien-6-ynal, (E,E)-?
You can request a quote for 2,4-Heptadien-6-ynal, (E,E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Heptadien-6-ynal, (E,E)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Heptadien-6-ynal, (E,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.