N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
TL;DR: N-(3,4-dimethoxyphenyl)-4-nitrobenzamide (CAS 178803-91-3) is a chemical compound with molecular formula C15H14N2O5 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
Also Known As: DC-S100, N-(3,4-dimethoxyphenyl)-4-nitrobenzamide, N-(3,4-Dimethoxy-phenyl)-4-nitro-benzamide, AB00080996-01
| Molecular Formula | C15H14N2O5 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.09027 |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 178803-91-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC |
| InChIKey | QVRYMECVJRSTFI-UHFFFAOYSA-N |
Product Overview
N-(3,4-dimethoxyphenyl)-4-nitrobenzamide (CAS 178803-91-3), with molecular formula C15H14N2O5 and molecular weight 302.09 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-4-nitrobenzamide.
Chemical Property Profile of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
Property Insights of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxyphenyl)-4-nitrobenzamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenyl)-4-nitrobenzamide 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 N-(3,4-dimethoxyphenyl)-4-nitrobenzamide?
The CAS number of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide is 178803-91-3.
What is the molecular formula of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide?
The molecular formula of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide is C15H14N2O5.
What is the molecular weight of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide?
The molecular weight of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide is 302.09 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)-4-nitrobenzamide?
You can request a quote for N-(3,4-dimethoxyphenyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.