N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide (CAS 169945-54-4) is a chemical compound with molecular formula C14H10N2O5 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide
Also Known As: N-1,3-benzodioxol-5-yl-4-nitrobenzamide, BAS 01187689, N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide, N-Benzo[1,3]dioxol-5-yl-4-nitro-benzamide, 4-Nitro-N-(3,4-methylenedioxyphenyl)benzamide
| Molecular Formula | C14H10N2O5 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05896 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 169945-54-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | LALFACKQVAUKTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide (CAS 169945-54-4), with molecular formula C14H10N2O5 and molecular weight 286.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-4-nitrobenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide is 169945-54-4.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide is C14H10N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide is 286.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.