N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine
TL;DR: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine (CAS 61963-89-1) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine
Also Known As: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine, N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitro-2-Pyridinamine, A3858/0163857, 2-Pyridinamine, N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitro-, N-(2,2-Dimethyl-2H-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 3.2407 |
| Topological Polar Surface Area | 86.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 715.11536 |
Chemical Identifiers
| CAS Number | 61963-89-1 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C=C2)NC3=C(C=CC=N3)[N+](=O)[O-])C |
Product Overview
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine (CAS 61963-89-1), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine.
Chemical Property Profile of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine
Property Insights of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine
The XLogP value of 3.2407 indicates that N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine. Following Lipinski's Rule of Five, N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-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-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine?
The CAS number of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine is 61963-89-1.
What is the molecular formula of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine?
The molecular formula of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine is C14H13N3O4.
What is the molecular weight of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine?
The molecular weight of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine is 287.09 g/mol.
Where can I buy N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine?
You can request a quote for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-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-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-nitropyridin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.