N-(hydroxymethyl)-4-nitrobenzamide
TL;DR: N-(hydroxymethyl)-4-nitrobenzamide (CAS 40478-12-4) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(hydroxymethyl)-4-nitrobenzamide
Also Known As: N-(hydroxymethyl)-4-nitrobenzamide, 4-nitro-N-(hydroxymethyl)benzamide, n(hydroxymethyl)4nitrobenzamide, N-hydroxymethylp-nitrobenzamide, SDCCGMLS-0065393.P001
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 40478-12-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCO)[N+](=O)[O-] |
| InChIKey | CQBAFPMQYMJXAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(hydroxymethyl)-4-nitrobenzamide (CAS 40478-12-4), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: N-(hydroxymethyl)-4-nitrobenzamide.
Chemical Property Profile of N-(hydroxymethyl)-4-nitrobenzamide
Property Insights of N-(hydroxymethyl)-4-nitrobenzamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(hydroxymethyl)-4-nitrobenzamide. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(hydroxymethyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(hydroxymethyl)-4-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-(hydroxymethyl)-4-nitrobenzamide?
The CAS number of N-(hydroxymethyl)-4-nitrobenzamide is 40478-12-4.
What is the molecular formula of N-(hydroxymethyl)-4-nitrobenzamide?
The molecular formula of N-(hydroxymethyl)-4-nitrobenzamide is C8H8N2O4.
What is the molecular weight of N-(hydroxymethyl)-4-nitrobenzamide?
The molecular weight of N-(hydroxymethyl)-4-nitrobenzamide is 196.05 g/mol.
Where can I buy N-(hydroxymethyl)-4-nitrobenzamide?
You can request a quote for N-(hydroxymethyl)-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-(hydroxymethyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(hydroxymethyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.