2,4-Hexadiene, 1-ethoxy-
TL;DR: 2,4-Hexadiene, 1-ethoxy- (CAS 56752-54-6) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxyhexa-2,4-diene
Also Known As: 2,4-Hexadiene, 1-ethoxy-, 2,4-Hexadiene,1-ethoxy, 1-ETHOXYHEXA-2,4-DIENE, RefChem:246739
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 56752-54-6 |
|---|---|
| SMILES | CCOCC=CC=CC |
| InChIKey | UNHPVHFNZXRVNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Hexadiene, 1-ethoxy- (CAS 56752-54-6), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 1-ethoxyhexa-2,4-diene.
Chemical Property Profile of 2,4-Hexadiene, 1-ethoxy-
Property Insights of 2,4-Hexadiene, 1-ethoxy-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexadiene, 1-ethoxy-. With a topological polar surface area (TPSA) of 9.2 Ų, 2,4-Hexadiene, 1-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadiene, 1-ethoxy- 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-Hexadiene, 1-ethoxy-?
The CAS number of 2,4-Hexadiene, 1-ethoxy- is 56752-54-6.
What is the molecular formula of 2,4-Hexadiene, 1-ethoxy-?
The molecular formula of 2,4-Hexadiene, 1-ethoxy- is C8H14O.
What is the molecular weight of 2,4-Hexadiene, 1-ethoxy-?
The molecular weight of 2,4-Hexadiene, 1-ethoxy- is 126.10 g/mol.
Where can I buy 2,4-Hexadiene, 1-ethoxy-?
You can request a quote for 2,4-Hexadiene, 1-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Hexadiene, 1-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexadiene, 1-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.