9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride
TL;DR: 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride (CAS 2923-59-3) is a chemical compound with molecular formula C19H24Cl2N6O3 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol;dihydrochloride
Also Known As: 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, (Piperonyl-4 piperazinyl-1)-6 (hydroxy-2 ethyl)-9 purine dichlorhydrate [French], (Piperonyl-4 piperazinyl-1)-6 (hydroxy-2 ethyl)-9 purine dichlorhydrate, 6-(4-(3,4-Methylenedioxybenzyl)-1-piperazinyl)-9H-purine-9-ethanol dihydrochloride, 2-{6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9h-purin-9-yl}ethanol dihydrochloride
| Molecular Formula | C19H24Cl2N6O3 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 1.7131 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1287 |
| Heavy Atoms | 30 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 2923-59-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4N=CN5CCO.Cl.Cl |
| InChIKey | KXGJEOPMVLTCRZ-UHFFFAOYSA-N |
Product Overview
9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride (CAS 2923-59-3), with molecular formula C19H24Cl2N6O3 and molecular weight 454.13 g/mol. IUPAC: 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol;dihydrochloride.
Chemical Property Profile of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride
Property Insights of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride
The XLogP value of 1.7131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride. Following Lipinski's Rule of Five, 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 8 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-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
The CAS number of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride is 2923-59-3.
What is the molecular formula of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
The molecular formula of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride is C19H24Cl2N6O3.
What is the molecular weight of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
The molecular weight of 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride is 454.13 g/mol.
Where can I buy 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
You can request a quote for 9H-Purine-9-ethanol, 6-(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-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.