N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine
TL;DR: N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine (CAS 77822-84-5) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine
Also Known As: N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine, 1,3-Benzodioxol-5-amine, N-(3-pyridinylmethylene)-, N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine, 5-(1-aza-2-(3-pyridyl)vinyl)benzo[d]1,3-dioxolene, N-(1,3-benzodioxol-5-yl)-1-(3-pyridyl)methanimine
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.5609 |
| Topological Polar Surface Area | 43.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 552.6008 |
Chemical Identifiers
| CAS Number | 77822-84-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N=CC3=CN=CC=C3 |
Product Overview
N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine (CAS 77822-84-5), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine.
Chemical Property Profile of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine
Property Insights of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine
The XLogP value of 2.5609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine. With a topological polar surface area (TPSA) of 43.71 Ų, N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine has 0 hydrogen bond donor(s) and 4 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-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine?
The CAS number of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine is 77822-84-5.
What is the molecular formula of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine?
The molecular formula of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine is C13H10N2O2.
What is the molecular weight of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine?
The molecular weight of N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine is 226.07 g/mol.
Where can I buy N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine?
You can request a quote for N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Pyridinylmethylene)-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.