9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate
TL;DR: 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate (CAS 69440-63-7) is a chemical compound with molecular formula C20H32N6O10S2 and molecular weight 580.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine;methanesulfonic acid;dihydrate
Also Known As: 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate, (Piperonyl-4 piperazinyl-1)-6 methyl-9 purine bismethanesulfonate dihydrate [French], 9-Methyl-6-(4-piperonyl-1-piperazinyl)-9H-purine dimethanesulfonate dihydrate, (Piperonyl-4 piperazinyl-1)-6 methyl-9 purine bismethanesulfonate dihydrate, 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine; methanesulfonic acid; dihydrate
| Molecular Formula | C20H32N6O10S2 |
|---|---|
| Molecular Weight | 580.16 g/mol |
| LogP | -1.2272 |
| Topological Polar Surface Area | 240.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 580.1621 |
| Heavy Atoms | 38 |
| Complexity | 1360.9128 |
Chemical Identifiers
| CAS Number | 69440-63-7 |
|---|---|
| SMILES | CN1C=NC2=C1N=CN=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.CS(=O)(=O)O.CS(=O)(=O)O.O.O |
Product Overview
9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate (CAS 69440-63-7), with molecular formula C20H32N6O10S2 and molecular weight 580.16 g/mol. IUPAC: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine;methanesulfonic acid;dihydrate.
Chemical Property Profile of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate
Property Insights of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate
The XLogP value of -1.2272 indicates that 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.28 Ų indicates high polarity, suggesting 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate has 2 hydrogen bond donor(s) and 11 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, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate?
The CAS number of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate is 69440-63-7.
What is the molecular formula of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate?
The molecular formula of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate is C20H32N6O10S2.
What is the molecular weight of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate?
The molecular weight of 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate is 580.16 g/mol.
Where can I buy 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate?
You can request a quote for 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), 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-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 9-methyl-6-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.