N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide (CAS 325809-76-5) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-nitrobenzamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-nitro-2-toluamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)(2-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 325809-76-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | KDEFFDXUFOIUOG-UHFFFAOYSA-N |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide (CAS 325809-76-5), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-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-ylmethyl)-2-methyl-3-nitrobenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide is 325809-76-5.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide is C16H14N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide is 314.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-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-ylmethyl)-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.