![(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid structure](/static/products/329/329049-91-4.png)
(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid (CAS 329049-91-4) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
Also Known As: 3-(2-Cyclohex-1-enyl-ethylcarbamoyl)-acrylic acid, AN-329/41925076, (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid, 4-{[2-(1-cyclohexen-1-yl)ethyl]amino}-4-oxo-2-butenoic acid, (2E)-4-[(2-cyclohex-1-en-1-ylethyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.6339 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 318.22556 |
Chemical Identifiers
| CAS Number | 329049-91-4 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)/C=C/C(=O)O |
Product Overview
(E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid (CAS 329049-91-4), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid
The XLogP value of 1.6339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid has 2 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 (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid is 329049-91-4.
What is the molecular formula of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid is C12H17NO3.
What is the molecular weight of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid is 223.12 g/mol.
Where can I buy (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.