9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride
TL;DR: 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride (CAS 42728-79-0) is a chemical compound with molecular formula C17H20Cl2N6O2 and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine;dihydrochloride
Also Known As: 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, 2-(4-Piperonyl-1-piperazinyl)-9H-purine dihydrochloride, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7h-purine dihydrochloride, 1H-Purine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, dihydrochloride, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine,dihydrochloride
| Molecular Formula | C17H20Cl2N6O2 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 2.2474 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.10248 |
| Heavy Atoms | 27 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 42728-79-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N=CN5.Cl.Cl |
| InChIKey | TUHUSUXCMRHKGM-UHFFFAOYSA-N |
Product Overview
9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride (CAS 42728-79-0), with molecular formula C17H20Cl2N6O2 and molecular weight 410.10 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine;dihydrochloride.
Chemical Property Profile of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride
Property Insights of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride
The XLogP value of 2.2474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride. Following Lipinski's Rule of Five, 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 7 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-piperonyl-1-piperazinyl)-, dihydrochloride?
The CAS number of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride is 42728-79-0.
What is the molecular formula of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
The molecular formula of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride is C17H20Cl2N6O2.
What is the molecular weight of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
The molecular weight of 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride is 410.10 g/mol.
Where can I buy 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
You can request a quote for 9H-Purine, 2-(4-piperonyl-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-piperonyl-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.