4-乙基己烯酸
TL;DR: 4-乙基己烯酸 (CAS 60308-77-2) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙基己烯酸
4-ethylhex-2-enoic acid
Also Known As: 4-ethylhexenoic acid, 2-Hexenoic acid,4-ethyl-, (2E)-, 2-Hexenoic acid,4-ethyl-, (Z)- (9CI)
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 60308-77-2 |
|---|---|
| SMILES | CCC(CC)C=CC(=O)O |
| InChIKey | JUAHIVUUUQRPLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙基己烯酸 (CAS 60308-77-2), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 4-ethylhex-2-enoic acid.
Chemical Property Profile of 4-乙基己烯酸
Property Insights of 4-乙基己烯酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙基己烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-乙基己烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙基己烯酸 has 1 hydrogen bond donor(s) and 2 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-乙基己烯酸?
The CAS number of 4-乙基己烯酸 is 60308-77-2.
What is the molecular formula of 4-乙基己烯酸?
The molecular formula of 4-乙基己烯酸 is C8H14O2.
What is the molecular weight of 4-乙基己烯酸?
The molecular weight of 4-乙基己烯酸 is 142.10 g/mol.
Where can I buy 4-乙基己烯酸?
You can request a quote for 4-乙基己烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基己烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基己烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.