(E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine
TL;DR: (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine (CAS 321979-15-1) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)methanimine
Also Known As: IFLab1_000543, IDI1_008762, (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine, F0131-0034, 1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)methanimine
| Molecular Formula | C14H12N2O2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.4294 |
| Topological Polar Surface Area | 43.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08987 |
| Heavy Atoms | 18 |
| Complexity | 567.2616 |
Chemical Identifiers
| CAS Number | 321979-15-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NCC3=CN=CC=C3 |
Product Overview
(E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine (CAS 321979-15-1), with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)methanimine.
Chemical Property Profile of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine
Property Insights of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine
The XLogP value of 2.4294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine. With a topological polar surface area (TPSA) of 43.71 Ų, (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]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 (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine?
The CAS number of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine is 321979-15-1.
What is the molecular formula of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine?
The molecular formula of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine is C14H12N2O2.
What is the molecular weight of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine?
The molecular weight of (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine is 240.09 g/mol.
Where can I buy (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine?
You can request a quote for (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-[(2H-1,3-benzodioxol-5-yl)methylidene][(pyridin-3-yl)methyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.