4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid
TL;DR: 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 478804-04-5) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid
Also Known As: 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-[(4-chlorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid, 4-(4-chlorobenzamido)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2, 4-(4-chlorobenzoylamino)-1-methyl-1h-pyrrole-2-carboxylic acid
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.629 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 631.83795 |
Chemical Identifiers
| CAS Number | 478804-04-5 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)O)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 478804-04-5), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: 4-[(4-chlorobenzoyl)amino]-1-methylpyrrole-2-carboxylic acid.
Chemical Property Profile of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid
Property Insights of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic 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-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid is 478804-04-5.
What is the molecular formula of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid is C13H11ClN2O3.
What is the molecular weight of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid is 278.05 g/mol.
Where can I buy 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-(4-Chloro-benzoylamino)-1-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-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-benzoylamino)-1-methyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.