1,2,3-Butatriene, 1-ethoxy-
TL;DR: 1,2,3-Butatriene, 1-ethoxy- (CAS 26842-75-1) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxybuta-1,2,3-triene
Also Known As: 1-Ethoxybutatriene, 1,2,3-Butatriene, 1-ethoxy-, Ether, butatrienyl ethyl, 1-ethoxy-buta-1,2,3-triene, 1-ethoxybuta-1,2,3-triene
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 26842-75-1 |
|---|---|
| SMILES | CCOC=C=C=C |
| InChIKey | DGJJASURVQPVJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Butatriene, 1-ethoxy- (CAS 26842-75-1), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: 1-ethoxybuta-1,2,3-triene.
Chemical Property Profile of 1,2,3-Butatriene, 1-ethoxy-
Property Insights of 1,2,3-Butatriene, 1-ethoxy-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Butatriene, 1-ethoxy-. With a topological polar surface area (TPSA) of 9.2 Ų, 1,2,3-Butatriene, 1-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Butatriene, 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 1,2,3-Butatriene, 1-ethoxy-?
The CAS number of 1,2,3-Butatriene, 1-ethoxy- is 26842-75-1.
What is the molecular formula of 1,2,3-Butatriene, 1-ethoxy-?
The molecular formula of 1,2,3-Butatriene, 1-ethoxy- is C6H8O.
What is the molecular weight of 1,2,3-Butatriene, 1-ethoxy-?
The molecular weight of 1,2,3-Butatriene, 1-ethoxy- is 96.06 g/mol.
Where can I buy 1,2,3-Butatriene, 1-ethoxy-?
You can request a quote for 1,2,3-Butatriene, 1-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Butatriene, 1-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Butatriene, 1-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.