N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine (CAS 100557-14-0) 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-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine
Also Known As: ChemDiv3_006682, N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine, BAS 07402118, IDI1_024592, n-(Benzo[d][1,3]dioxol-5-ylmethyl)pyridin-2-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 | 100557-14-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=CC=CC=N3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine (CAS 100557-14-0), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine
The XLogP value of 2.4224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine. With a topological polar surface area (TPSA) of 43.38 Ų, N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-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-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine is 100557-14-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine is C13H12N2O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine is 228.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)pyridin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.