![4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid structure](/static/products/4576/457610-52-5.webp)
4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid
TL;DR: 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid (CAS 457610-52-5) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]benzoic acid
Also Known As: 4-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]benzoic Acid, 4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]benzoic acid, 4-[2-cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.30428 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 605.4044 |
Chemical Identifiers
| CAS Number | 457610-52-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N |
Product Overview
4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid (CAS 457610-52-5), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 4-[(E)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid
Property Insights of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid
The XLogP value of 2.30428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid has 1 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-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid?
The CAS number of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid is 457610-52-5.
What is the molecular formula of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid?
The molecular formula of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid is C16H16N2O3.
What is the molecular weight of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid?
The molecular weight of 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid is 284.12 g/mol.
Where can I buy 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid?
You can request a quote for 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic 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-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-Cyano-2-(piperidine-1-carbonyl)eth-1-en-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.