N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide (CAS 349440-60-4) is a chemical compound with molecular formula C17H16N2O7 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(4,5-dimethoxy-2-nitrophenyl)carboxa mide, Cambridge id 6618036
| Molecular Formula | C17H16N2O7 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 2.2707 |
| Topological Polar Surface Area | 109.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.09576 |
| Heavy Atoms | 26 |
| Complexity | 866.4302 |
Chemical Identifiers
| CAS Number | 349440-60-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide (CAS 349440-60-4), with molecular formula C17H16N2O7 and molecular weight 360.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide
The XLogP value of 2.2707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide. The TPSA of 109.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide has 1 hydrogen bond donor(s) and 7 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)-4,5-dimethoxy-2-nitrobenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide is 349440-60-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide is C17H16N2O7.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide is 360.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-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-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.