(E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 347396-80-9) is a chemical compound with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 3-[3-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid, 3-[3-[[(2-cyanoacetyl)hydrazinylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic Acid, 3-{3-[(1E)-2-(2-cyanoacetylamino)-2-azavinyl]-2,5-dimethylpyrrolyl}benzoic aci d, 3-(3-{(E)-[2-(cyanoacetyl)hydrazinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
| Molecular Formula | C17H16N4O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.15612 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.12225 |
| Heavy Atoms | 24 |
| Complexity | 859.206 |
Chemical Identifiers
| CAS Number | 347396-80-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=N/NC(=O)CC#N |
Product Overview
(E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 347396-80-9), with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol. IUPAC: 3-[3-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.15612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 4 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)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 347396-80-9.
What is the molecular formula of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C17H16N4O3.
What is the molecular weight of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 324.12 g/mol.
Where can I buy (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-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 (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-((2-(2-cyanoacetyl)hydrazono)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.