5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 332898-63-2) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, IFLab1_004153, CHEMBRDG-BB 5948197, 5-Acetamido-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, TOSLAB 803262
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 332898-63-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=C(C=C2)NC(=O)C)C(=O)O)C |
| InChIKey | OQLWKWMHQJQVEW-UHFFFAOYSA-N |
Product Overview
5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 332898-63-2), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 5-acetamido-2-(2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic 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 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 332898-63-2.
What is the molecular formula of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C15H16N2O3.
What is the molecular weight of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 272.12 g/mol.
Where can I buy 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 5-(acetylamino)-2-(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 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(acetylamino)-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.