![4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid structure](/static/products/1870/187085-81-0.webp)
4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid (CAS 187085-81-0) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid
Also Known As: 4-{[2-(1-cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid, 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid, 3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propanoic acid, AN-329/13148608, Z-0887
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 1.8579 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 283.98846 |
Chemical Identifiers
| CAS Number | 187085-81-0 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)CCC(=O)O |
Product Overview
4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid (CAS 187085-81-0), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid
The XLogP value of 1.8579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic 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 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid is 187085-81-0.
What is the molecular formula of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid is C12H19NO3.
What is the molecular weight of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid is 225.14 g/mol.
Where can I buy 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.