9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate
TL;DR: 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate (CAS 69455-15-8) is a chemical compound with molecular formula C20H28Cl2N6O4 and molecular weight 486.15 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]-9-prop-2-enylpurine;dihydrate;dihydrochloride
Also Known As: 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate, 9-Allyl-2-(4-piperonyl-1-piperazinyl)-9H-purine dihydrochloride dihydrate, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enylpurine dihydrate dihydrochloride, 2-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-9-(prop-2-en-1-yl)-9H-purine--hydrogen chloride--water (1/2/2), 9H-Purine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-(2-propenyl)-, dihydrochloride, dihydrate
| Molecular Formula | C20H28Cl2N6O4 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 1.2574 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.1549 |
| Heavy Atoms | 32 |
| Complexity | 1026.4927 |
Chemical Identifiers
| CAS Number | 69455-15-8 |
|---|---|
| SMILES | C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.O.O.Cl.Cl |
Product Overview
9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate (CAS 69455-15-8), with molecular formula C20H28Cl2N6O4 and molecular weight 486.15 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enylpurine;dihydrate;dihydrochloride.
Chemical Property Profile of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate
Property Insights of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate
The XLogP value of 1.2574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate. Following Lipinski's Rule of Five, 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate has 0 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, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate?
The CAS number of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate is 69455-15-8.
What is the molecular formula of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate?
The molecular formula of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate is C20H28Cl2N6O4.
What is the molecular weight of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate?
The molecular weight of 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate is 486.15 g/mol.
Where can I buy 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate?
You can request a quote for 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate 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-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.