N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine (CAS 61963-71-1) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine, 2-Pyridinamine,N-(1,3-benzodioxol-5-ylmethyl)-3-nitro, 2-Pyridinamine, N-(1,3-benzodioxol-5-ylmethyl)-3-nitro-, N-(benzo[1,3]dioxol-5-ylmethyl)-3-nitro-pyridin-2-amine, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-nitropyridin-2-amine
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.3306 |
| Topological Polar Surface Area | 86.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.07495 |
| Heavy Atoms | 20 |
| Complexity | 659.8146 |
Chemical Identifiers
| CAS Number | 61963-71-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-] |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine (CAS 61963-71-1), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine
The XLogP value of 2.3306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine. The TPSA of 86.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine 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-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine is 61963-71-1.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine is C13H11N3O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine is 273.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine 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)-3-nitropyridin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-nitropyridin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.