N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
TL;DR: N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine (CAS 791601-06-4) 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-3-ylmethyl)-1,3-benzodioxol-5-amine
Also Known As: N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine, N-(pyridin-3-ylmethyl)-2H-1,3-benzodioxol-5-amine, N-(3-pyridinylmethyl)-1,3-benzodioxol-5-amine, N-[(pyridin-3-yl)methyl]-2H-1,3-benzodioxol-5-amine, N-[(pyridin-3-yl)methyl]-1,3-dioxaindan-5-amine
| 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 | 791601-06-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCC3=CN=CC=C3 |
Product Overview
N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine (CAS 791601-06-4), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine.
Chemical Property Profile of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
Property Insights of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
The XLogP value of 2.4224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine. With a topological polar surface area (TPSA) of 43.38 Ų, N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-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 N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine?
The CAS number of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine is 791601-06-4.
What is the molecular formula of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine?
The molecular formula of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine is C13H12N2O2.
What is the molecular weight of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine?
The molecular weight of N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine is 228.09 g/mol.
Where can I buy N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine?
You can request a quote for N-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.