8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
TL;DR: 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium (CAS 904913-89-9) is a chemical compound with molecular formula C19H15ClF2N6 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-N-(2-chlorophenyl)-2-N-(2,6-difluorophenyl)-9-ethylpurine-2,8-diamine
Also Known As: 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 8-N-(2-chlorophenyl)-2-N-(2,6-difluorophenyl)-9-ethylpurine-2,8-diamine, LID, 9H-Purine-2,8-diamine, N8-(2-chlorophenyl)-N2-(2,6-difluorophenyl)-9-ethyl-
| Molecular Formula | C19H15ClF2N6 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 5.265 |
| Topological Polar Surface Area | 67.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.10147 |
| Heavy Atoms | 28 |
| Complexity | 1140.3353 |
Chemical Identifiers
| CAS Number | 904913-89-9 |
|---|---|
| SMILES | CCN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3Cl)NC4=C(C=CC=C4F)F |
Product Overview
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium (CAS 904913-89-9), with molecular formula C19H15ClF2N6 and molecular weight 400.10 g/mol. IUPAC: 8-N-(2-chlorophenyl)-2-N-(2,6-difluorophenyl)-9-ethylpurine-2,8-diamine.
Chemical Property Profile of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
Property Insights of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
The XLogP value of 5.265 indicates that 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium. Following Lipinski's Rule of Five, 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium has 2 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 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium?
The CAS number of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium is 904913-89-9.
What is the molecular formula of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium?
The molecular formula of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium is C19H15ClF2N6.
What is the molecular weight of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium?
The molecular weight of 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium is 400.10 g/mol.
Where can I buy 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium?
You can request a quote for 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.