![4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid structure](/static/products/5199/51992-11-1.webp)
4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid
TL;DR: 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid (CAS 51992-11-1) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid
Also Known As: Maybridge3_005635, 4-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid, 2-Butenoicacid, 4-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]-
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 51992-11-1 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)NC(=O)C=CC(=O)O |
| InChIKey | VJVRSOGEUWANMN-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid (CAS 51992-11-1), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: 4-oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid
Property Insights of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid has 2 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 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid?
The CAS number of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid is 51992-11-1.
What is the molecular formula of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid?
The molecular formula of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid is C13H21NO3.
What is the molecular weight of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid?
The molecular weight of 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid is 239.15 g/mol.
Where can I buy 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid?
You can request a quote for 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-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 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.