N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide (CAS 349114-22-3) is a chemical compound with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide, F2299-0315, N-(2-methoxy-5-nitrophenyl)benzo[d][1,3]dioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-(2-methoxy-5-nitrophenyl)carboxamide
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.5844 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 789.53174 |
Chemical Identifiers
| CAS Number | 349114-22-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide (CAS 349114-22-3), with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol. IUPAC: N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.5844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide has 1 hydrogen bond donor(s) and 6 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-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide is 349114-22-3.
What is the molecular formula of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide is C15H12N2O6.
What is the molecular weight of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide is 316.07 g/mol.
Where can I buy N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxy-5-nitrophenyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.