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Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
TL;DR: Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine (CAS 774553-99-0) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-4-ylmethyl)-1,3-benzodioxol-5-amine
Also Known As: Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine, 4H-Benzimidazol-5-ol, N-(pyridin-4-ylmethyl)-1,3-benzodioxol-5-amine, N-(Pyridin-4-ylmethyl)benzo[d][1,3]dioxol-5-amine, BAS 07017731
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.4224 |
| Topological Polar Surface Area | 43.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 514.0828 |
Chemical Identifiers
| CAS Number | 774553-99-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCC3=CC=NC=C3 |
Product Overview
Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine (CAS 774553-99-0), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-(pyridin-4-ylmethyl)-1,3-benzodioxol-5-amine.
Chemical Property Profile of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
Property Insights of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
The XLogP value of 2.4224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine. With a topological polar surface area (TPSA) of 43.38 Ų, Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine has 1 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 Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine?
The CAS number of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine is 774553-99-0.
What is the molecular formula of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine?
The molecular formula of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine is C13H12N2O2.
What is the molecular weight of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine?
The molecular weight of Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine is 228.09 g/mol.
Where can I buy Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine?
You can request a quote for Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.