3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide
TL;DR: 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide (CAS 221876-00-2) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide
Also Known As: 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide, BIM-0028616.P001, n-(4-methyl-3-nitrophenyl)-3,4-dimethoxybenzamide, (3,4-dimethoxyphenyl)-N-(4-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 221876-00-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] |
| InChIKey | VGZIWENQOCCSNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide (CAS 221876-00-2), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide
Property Insights of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide has 1 hydrogen bond donor(s) and 5 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 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The CAS number of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide is 221876-00-2.
What is the molecular formula of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The molecular formula of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide is C16H16N2O5.
What is the molecular weight of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The molecular weight of 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide is 316.11 g/mol.
Where can I buy 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide?
You can request a quote for 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-(4-methyl-3-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.