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Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine (CAS 353779-52-9) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine
Also Known As: Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine, ChemDiv2_000480, (1,3-benzodioxol-5-ylmethyl)(pyridin-4-ylmethyl)amine, 1393AE, BAS 05542003
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 353779-52-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCC3=CC=NC=C3 |
| InChIKey | UGGCQMVKRPFZEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine (CAS 353779-52-9), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylmethanamine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine. With a topological polar surface area (TPSA) of 43.4 Ų, Benzo[1,3]dioxol-5-ylmethyl-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-ylmethyl-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-ylmethyl-pyridin-4-ylmethyl-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine is 353779-52-9.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine is C14H14N2O2.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine is 242.11 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-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-ylmethyl-pyridin-4-ylmethyl-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.