9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride
TL;DR: 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride (CAS 42721-22-2) is a chemical compound with molecular formula C17H22Cl2N6 and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-phenylethyl)piperazin-1-yl]-7H-purine;dihydrochloride
Also Known As: 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride, 2-(4-Phenethyl-1-piperazinyl)-9H-purine dihydrochloride, 2-[4-(2-phenylethyl)piperazin-1-yl]-7h-purine dihydrochloride, 2-(4-phenethylpiperazin-1-yl)-7H-purine dihydrochloride, 9H-Purine,2-(4-phenethyl-1-piperazinyl)-,dihydrochloride
| Molecular Formula | C17H22Cl2N6 |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 2.5612 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1283 |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 42721-22-2 |
|---|---|
| SMILES | C1CN(CCN1CCC2=CC=CC=C2)C3=NC=C4C(=N3)N=CN4.Cl.Cl |
| InChIKey | MMDYNEIERMNQHF-UHFFFAOYSA-N |
Product Overview
9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride (CAS 42721-22-2), with molecular formula C17H22Cl2N6 and molecular weight 380.13 g/mol. IUPAC: 2-[4-(2-phenylethyl)piperazin-1-yl]-7H-purine;dihydrochloride.
Chemical Property Profile of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride
Property Insights of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride
The XLogP value of 2.5612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride. Following Lipinski's Rule of Five, 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 5 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 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride?
The CAS number of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride is 42721-22-2.
What is the molecular formula of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride?
The molecular formula of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride is C17H22Cl2N6.
What is the molecular weight of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride?
The molecular weight of 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride is 380.13 g/mol.
Where can I buy 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride?
You can request a quote for 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 2-(4-phenethyl-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.