3-methyl-4-nitro-N-(propan-2-yl)benzamide
TL;DR: 3-methyl-4-nitro-N-(propan-2-yl)benzamide (CAS 333350-43-9) 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.
3-methyl-4-nitro-N-propan-2-ylbenzamide
Also Known As: 3-methyl-4-nitro-N-(propan-2-yl)benzamide, N-Isopropyl-3-methyl-4-nitro-benzamide, 3-methyl-4-nitro-N-propan-2-ylbenzamide, BAS 00785287, N-ISOPROPYL-3-METHYL-4-NITROBENZAMIDE
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 333350-43-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(C)C)[N+](=O)[O-] |
| InChIKey | GXBHGDDFHQVUIA-UHFFFAOYSA-N |
Product Overview
3-methyl-4-nitro-N-(propan-2-yl)benzamide (CAS 333350-43-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 3-methyl-4-nitro-N-propan-2-ylbenzamide.
Chemical Property Profile of 3-methyl-4-nitro-N-(propan-2-yl)benzamide
Property Insights of 3-methyl-4-nitro-N-(propan-2-yl)benzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-nitro-N-(propan-2-yl)benzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-nitro-N-(propan-2-yl)benzamide. Following Lipinski's Rule of Five, 3-methyl-4-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 3-methyl-4-nitro-N-(propan-2-yl)benzamide?
The CAS number of 3-methyl-4-nitro-N-(propan-2-yl)benzamide is 333350-43-9.
What is the molecular formula of 3-methyl-4-nitro-N-(propan-2-yl)benzamide?
The molecular formula of 3-methyl-4-nitro-N-(propan-2-yl)benzamide is C11H14N2O3.
What is the molecular weight of 3-methyl-4-nitro-N-(propan-2-yl)benzamide?
The molecular weight of 3-methyl-4-nitro-N-(propan-2-yl)benzamide is 222.10 g/mol.
Where can I buy 3-methyl-4-nitro-N-(propan-2-yl)benzamide?
You can request a quote for 3-methyl-4-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 3-methyl-4-nitro-N-(propan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-nitro-N-(propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.