4-methyl-3-nitro-N-(propan-2-yl)benzamide
TL;DR: 4-methyl-3-nitro-N-(propan-2-yl)benzamide (CAS 349403-49-2) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-propan-2-ylbenzamide
Also Known As: 4-methyl-3-nitro-N-(propan-2-yl)benzamide, 4-methyl-3-nitro-N-propan-2-ylbenzamide, 4-methyl-3-nitro-N-propan-2-yl-benzamide, Benzamide, 4-methyl-N-(1-methylethyl)-3-nitro-, N-(methylethyl)(4-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.04142 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 427.23788 |
Chemical Identifiers
| CAS Number | 349403-49-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(C)C)[N+](=O)[O-] |
Product Overview
4-methyl-3-nitro-N-(propan-2-yl)benzamide (CAS 349403-49-2), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 4-methyl-3-nitro-N-propan-2-ylbenzamide.
Chemical Property Profile of 4-methyl-3-nitro-N-(propan-2-yl)benzamide
Property Insights of 4-methyl-3-nitro-N-(propan-2-yl)benzamide
The XLogP value of 2.04142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-nitro-N-(propan-2-yl)benzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-nitro-N-(propan-2-yl)benzamide. Following Lipinski's Rule of Five, 4-methyl-3-nitro-N-(propan-2-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 4-methyl-3-nitro-N-(propan-2-yl)benzamide?
The CAS number of 4-methyl-3-nitro-N-(propan-2-yl)benzamide is 349403-49-2.
What is the molecular formula of 4-methyl-3-nitro-N-(propan-2-yl)benzamide?
The molecular formula of 4-methyl-3-nitro-N-(propan-2-yl)benzamide is C11H14N2O3.
What is the molecular weight of 4-methyl-3-nitro-N-(propan-2-yl)benzamide?
The molecular weight of 4-methyl-3-nitro-N-(propan-2-yl)benzamide is 222.10 g/mol.
Where can I buy 4-methyl-3-nitro-N-(propan-2-yl)benzamide?
You can request a quote for 4-methyl-3-nitro-N-(propan-2-yl)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-(propan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-nitro-N-(propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.