4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
TL;DR: 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid (CAS 477846-45-0) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-3-cyano-1-ethyl-5-methylpyrrole-2-carboxylic acid
Also Known As: 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid, 4-benzoyl-3-cyano-1-ethyl-5-methylpyrrole-2-carboxylic acid, 4-benzoyl-3-cyano-1-ethyl-5-methyl-pyrrole-2-carboxylic Acid, 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylicacid
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.6173 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 752.06464 |
Chemical Identifiers
| CAS Number | 477846-45-0 |
|---|---|
| SMILES | CCN1C(=C(C(=C1C(=O)O)C#N)C(=O)C2=CC=CC=C2)C |
Product Overview
4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid (CAS 477846-45-0), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 4-benzoyl-3-cyano-1-ethyl-5-methylpyrrole-2-carboxylic acid.
Chemical Property Profile of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
Property Insights of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.6173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic 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-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid is 477846-45-0.
What is the molecular formula of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid is C16H14N2O3.
What is the molecular weight of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid is 282.10 g/mol.
Where can I buy 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoyl-3-cyano-1-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.