2-methyl-3-nitro-N-(pentan-3-yl)benzamide
TL;DR: 2-methyl-3-nitro-N-(pentan-3-yl)benzamide (CAS 349616-27-9) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-N-pentan-3-ylbenzamide
Also Known As: 2-methyl-3-nitro-N-(pentan-3-yl)benzamide, 2-methyl-3-nitro-N-pentan-3-ylbenzamide, N-(1-ethylpropyl)-2-methyl-3-nitrobenzamide, N-(ethylpropyl)(2-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.82162 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 453.54962 |
Chemical Identifiers
| CAS Number | 349616-27-9 |
|---|---|
| SMILES | CCC(CC)NC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C |
Product Overview
2-methyl-3-nitro-N-(pentan-3-yl)benzamide (CAS 349616-27-9), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 2-methyl-3-nitro-N-pentan-3-ylbenzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide
Property Insights of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide
The XLogP value of 2.82162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-nitro-N-(pentan-3-yl)benzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-nitro-N-(pentan-3-yl)benzamide. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-(pentan-3-yl)benzamide 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 2-methyl-3-nitro-N-(pentan-3-yl)benzamide?
The CAS number of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide is 349616-27-9.
What is the molecular formula of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide?
The molecular formula of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide is C13H18N2O3.
What is the molecular weight of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide?
The molecular weight of 2-methyl-3-nitro-N-(pentan-3-yl)benzamide is 250.13 g/mol.
Where can I buy 2-methyl-3-nitro-N-(pentan-3-yl)benzamide?
You can request a quote for 2-methyl-3-nitro-N-(pentan-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-nitro-N-(pentan-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-(pentan-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.