4-Pentenal, 2-ethyl-
TL;DR: 4-Pentenal, 2-ethyl- (CAS 5204-80-8) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylpent-4-enal
Also Known As: 2-ethylpent-4-enal, 2-ETHYL-4-PENTENAL, 4-Pentenal, 2-ethyl-, Mirogabalin Impurity 26, 2-Ethyl-4-pentenal #
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 5204-80-8 |
|---|---|
| SMILES | CCC(CC=C)C=O |
| InChIKey | UADJTDURPOSPRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenal, 2-ethyl- (CAS 5204-80-8), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 2-ethylpent-4-enal.
Chemical Property Profile of 4-Pentenal, 2-ethyl-
Property Insights of 4-Pentenal, 2-ethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenal, 2-ethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Pentenal, 2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenal, 2-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 4-Pentenal, 2-ethyl-?
The CAS number of 4-Pentenal, 2-ethyl- is 5204-80-8.
What is the molecular formula of 4-Pentenal, 2-ethyl-?
The molecular formula of 4-Pentenal, 2-ethyl- is C7H12O.
What is the molecular weight of 4-Pentenal, 2-ethyl-?
The molecular weight of 4-Pentenal, 2-ethyl- is 112.09 g/mol.
Where can I buy 4-Pentenal, 2-ethyl-?
You can request a quote for 4-Pentenal, 2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenal, 2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenal, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.