2-Ethyl-but-2-enal
TL;DR: 2-Ethyl-but-2-enal (CAS 19780-25-7) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbut-2-enal
Also Known As: 2-Ethyl-2-butenal, 2-Ethylcrotonaldehyde, 2-ethylbut-2-enal, 2-Ethylbutenal, 2-ethyl-butenal
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 19780-25-7 |
|---|---|
| SMILES | CCC(=CC)C=O |
| InChIKey | IQGZCSXWIRBTRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-but-2-enal (CAS 19780-25-7), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: 2-ethylbut-2-enal.
Chemical Property Profile of 2-Ethyl-but-2-enal
Property Insights of 2-Ethyl-but-2-enal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-but-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethyl-but-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-but-2-enal 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-Ethyl-but-2-enal?
The CAS number of 2-Ethyl-but-2-enal is 19780-25-7.
What is the molecular formula of 2-Ethyl-but-2-enal?
The molecular formula of 2-Ethyl-but-2-enal is C6H10O.
What is the molecular weight of 2-Ethyl-but-2-enal?
The molecular weight of 2-Ethyl-but-2-enal is 98.07 g/mol.
Where can I buy 2-Ethyl-but-2-enal?
You can request a quote for 2-Ethyl-but-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-but-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-but-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.