N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide (CAS 824941-67-5) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(3-methyl-2-nitrophenyl)carboxamide
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.88422 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 772.52325 |
Chemical Identifiers
| CAS Number | 824941-67-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide (CAS 824941-67-5), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
The XLogP value of 2.88422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-methyl-2-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)-3-methyl-2-nitrobenzamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide is 824941-67-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide is C15H12N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide is 300.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-methyl-2-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)-3-methyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.