N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine (CAS 20366-90-9) is a chemical compound with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-7H-purin-6-amine
Also Known As: MTH1 inhibitor, 120, N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine, N-(1,3-benzodioxol-5-ylmethyl)-7H-purin-6-amine, 9H-Purin-6-amine, N-(1,3-benzodioxol-5-ylmethyl)-, N-(benzo[d][1,3]dioxol-5-ylmethyl)-9H-purin-6-amine
| Molecular Formula | C13H11N5O2 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 1.6937 |
| Topological Polar Surface Area | 84.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.09128 |
| Heavy Atoms | 20 |
| Complexity | 770.2974 |
Chemical Identifiers
| CAS Number | 20366-90-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3NC=N4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine (CAS 20366-90-9), with molecular formula C13H11N5O2 and molecular weight 269.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-7H-purin-6-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine
The XLogP value of 1.6937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine. The TPSA of 84.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine has 2 hydrogen bond donor(s) and 6 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)-9H-purin-6-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine is 20366-90-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine is C13H11N5O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine is 269.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-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)-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.