4-methyl-3-nitro-N-propylbenzamide
TL;DR: 4-methyl-3-nitro-N-propylbenzamide (CAS 346690-98-0) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-nitro-N-propylbenzamide
Also Known As: 4-methyl-3-nitro-N-propylbenzamide, (4-methyl-3-nitrophenyl)-N-propylcarboxamide, AB00082021-01, 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide, I1X
Technical Specifications
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CCCNC(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-] |
| InChIKey | AAVWYCNZVDPHJK-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-3-nitro-N-propylbenzamide
Property Insights of 4-methyl-3-nitro-N-propylbenzamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-nitro-N-propylbenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-nitro-N-propylbenzamide. Following Lipinski's Rule of Five, 4-methyl-3-nitro-N-propylbenzamide 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
What is the CAS number of 4-methyl-3-nitro-N-propylbenzamide?
The CAS number of 4-methyl-3-nitro-N-propylbenzamide is 346690-98-0.
What is the molecular formula of 4-methyl-3-nitro-N-propylbenzamide?
The molecular formula of 4-methyl-3-nitro-N-propylbenzamide is C11H14N2O3.
What is the molecular weight of 4-methyl-3-nitro-N-propylbenzamide?
The molecular weight of 4-methyl-3-nitro-N-propylbenzamide is 222.10045 g/mol.
Where can I buy 4-methyl-3-nitro-N-propylbenzamide?
You can request a quote for 4-methyl-3-nitro-N-propylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-3-nitro-N-propylbenzamide?
Yes, CoreyChem provides custom synthesis services for 4-methyl-3-nitro-N-propylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.