9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate
TL;DR: 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate (CAS 69440-64-8) is a chemical compound with molecular formula C34H42Cl4N12O5 and molecular weight 838.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine);hydrate;tetrahydrochloride
Also Known As: C17H18N6O2.2ClH.1/2H2O, 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate, (Piperonyl-4 piperazinyl-1)-6 purine dichlorhydrate hemihydrate [French], C17-H18-N6-O2.2Cl-H.1/2H2-O, (Piperonyl-4 piperazinyl-1)-6 purine dichlorhydrate hemihydrate
| Molecular Formula | C34H42Cl4N12O5 |
|---|---|
| Molecular Weight | 838.22 g/mol |
| LogP | 3.6701 |
| Topological Polar Surface Area | 190.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 838.2155 |
| Heavy Atoms | 55 |
| Complexity | 1979.7611 |
Chemical Identifiers
| CAS Number | 69440-64-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5.O.Cl.Cl.Cl.Cl |
Product Overview
9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate (CAS 69440-64-8), with molecular formula C34H42Cl4N12O5 and molecular weight 838.22 g/mol. IUPAC: bis(6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine);hydrate;tetrahydrochloride.
Chemical Property Profile of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate
Property Insights of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate
The XLogP value of 3.6701 indicates that 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.3 Ų indicates high polarity, suggesting 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate?
The CAS number of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate is 69440-64-8.
What is the molecular formula of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate?
The molecular formula of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate is C34H42Cl4N12O5.
What is the molecular weight of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate?
The molecular weight of 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate is 838.22 g/mol.
Where can I buy 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate?
You can request a quote for 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.