4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
TL;DR: 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide (CAS 541544-14-3) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
Also Known As: 3-nitro-4-methyl-N'-(1H-pyrrol-2-ylmethylene)benzohydrazide
| Molecular Formula | C13H12N4O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 1.99522 |
| Topological Polar Surface Area | 100.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.09094 |
| Heavy Atoms | 20 |
| Complexity | 662.26074 |
Chemical Identifiers
| CAS Number | 541544-14-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NN=CC2=CC=CN2)[N+](=O)[O-] |
Product Overview
4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide (CAS 541544-14-3), with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol. IUPAC: 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide.
Chemical Property Profile of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
Property Insights of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
The XLogP value of 1.99522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide. The TPSA of 100.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide. Following Lipinski's Rule of Five, 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide 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 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
The CAS number of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide is 541544-14-3.
What is the molecular formula of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
The molecular formula of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide is C13H12N4O3.
What is the molecular weight of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
The molecular weight of 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide is 272.09 g/mol.
Where can I buy 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
You can request a quote for 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.