Ethyl 2-formylpent-4-en-1-oate
TL;DR: Ethyl 2-formylpent-4-en-1-oate (CAS 36873-45-7) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-formylpent-4-enoate
Also Known As: ethyl 2-formylpent-4-enoate, Ethyl 2-formylpent-4-en-1-oate, EINECS 253-246-8, ethyl2-formylpent-4-en-1-oate, 2-Formyl-4-pentenoic acid ethyl ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.9407 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 151.41615 |
Chemical Identifiers
| CAS Number | 36873-45-7 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)C=O |
Product Overview
Ethyl 2-formylpent-4-en-1-oate (CAS 36873-45-7), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: ethyl 2-formylpent-4-enoate.
Chemical Property Profile of Ethyl 2-formylpent-4-en-1-oate
Property Insights of Ethyl 2-formylpent-4-en-1-oate
The XLogP value of 0.9407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-formylpent-4-en-1-oate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-formylpent-4-en-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-formylpent-4-en-1-oate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-formylpent-4-en-1-oate?
The CAS number of Ethyl 2-formylpent-4-en-1-oate is 36873-45-7.
What is the molecular formula of Ethyl 2-formylpent-4-en-1-oate?
The molecular formula of Ethyl 2-formylpent-4-en-1-oate is C8H12O3.
What is the molecular weight of Ethyl 2-formylpent-4-en-1-oate?
The molecular weight of Ethyl 2-formylpent-4-en-1-oate is 156.08 g/mol.
Where can I buy Ethyl 2-formylpent-4-en-1-oate?
You can request a quote for Ethyl 2-formylpent-4-en-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-formylpent-4-en-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-formylpent-4-en-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.