N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide (CAS 347337-49-9) 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide
Also Known As: BAS 01866408, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide, N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-methyl-4-nitro-benzamide, N-(2H,3H-benzo[e]1,4-dioxan-6-yl)(3-methyl-4-nitrophenyl)carboxamide, Cambridge id 5840896
| 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 | 2 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 347337-49-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-] |
| InChIKey | OGKHAUXGSODLLI-UHFFFAOYSA-N |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide (CAS 347337-49-9), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide is 347337-49-9.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide is C16H14N2O5.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide is 314.09 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.