2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
TL;DR: 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine (CAS 904914-13-2) is a chemical compound with molecular formula C20H16F3N5O and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-propan-2-ylpurin-8-amine
Also Known As: 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, LIE, 9H-Purin-8-amine, 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-, 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-9H-purin-8-amine, 2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-(propan-2-yl)-9h-purin-8-amine
| Molecular Formula | C20H16F3N5O |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 5.3604 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1307 |
| Heavy Atoms | 29 |
| Complexity | 1171.9243 |
Chemical Identifiers
| CAS Number | 904914-13-2 |
|---|---|
| SMILES | CC(C)N1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)OC4=C(C=CC=C4F)F |
Product Overview
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine (CAS 904914-13-2), with molecular formula C20H16F3N5O and molecular weight 399.13 g/mol. IUPAC: 2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-propan-2-ylpurin-8-amine.
Chemical Property Profile of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
Property Insights of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
The XLogP value of 5.3604 indicates that 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine. Following Lipinski's Rule of Five, 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine?
The CAS number of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine is 904914-13-2.
What is the molecular formula of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine?
The molecular formula of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine is C20H16F3N5O.
What is the molecular weight of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine?
The molecular weight of 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine is 399.13 g/mol.
Where can I buy 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine?
You can request a quote for 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.