N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide
TL;DR: N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide (CAS 32558-64-8) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzamide
Also Known As: SP055, N-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide, N-(2,5-Dimethyl-pyrrol-1-yl)-2-nitro-benzamide
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.39704 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 626.83307 |
Chemical Identifiers
| CAS Number | 32558-64-8 |
|---|---|
| SMILES | CC1=CC=C(N1NC(=O)C2=CC=CC=C2[N+](=O)[O-])C |
Product Overview
N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide (CAS 32558-64-8), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: N-(2,5-dimethylpyrrol-1-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide
Property Insights of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide
The XLogP value of 2.39704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide 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 N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide?
The CAS number of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide is 32558-64-8.
What is the molecular formula of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide?
The molecular formula of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide is C13H13N3O3.
What is the molecular weight of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide?
The molecular weight of N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide is 259.10 g/mol.
Where can I buy N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide?
You can request a quote for N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.