N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine (CAS 61471-95-2) is a chemical compound with molecular formula C12H10ClN3O2 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-chloropyridazin-3-amine, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloropyridazin-3-amine, n-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-chloropyridazin-3(2h)-imine, 3-Pyridazinamine, N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-
| Molecular Formula | C12H10ClN3O2 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 2.4708 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.04614 |
| Heavy Atoms | 18 |
| Complexity | 559.749 |
Chemical Identifiers
| CAS Number | 61471-95-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(C=C3)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine (CAS 61471-95-2), with molecular formula C12H10ClN3O2 and molecular weight 263.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine
The XLogP value of 2.4708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine. With a topological polar surface area (TPSA) of 56.27 Ų, N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine 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-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine is 61471-95-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine is C12H10ClN3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine is 263.05 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-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)-6-chloropyridazin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyridazin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.