9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)
TL;DR: 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) (CAS 31469-15-5) is a chemical compound with molecular formula C20H28N6O8S2 and molecular weight 544.14 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-methylpurine;methanesulfonic acid
Also Known As: 9-Methyl-2-(4-piperonyl-1-piperazinyl)-9H-purine dimethanesulfonate, 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate), 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-9h-purine methanesulfonate(1:2), 9H-Purine,9-methyl-2-(4-piperonyl-1-piperazinyl)-,bis(methanesulfonate), 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine,methanesulfonic acid
| Molecular Formula | C20H28N6O8S2 |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 0.4222 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 544.141 |
| Heavy Atoms | 36 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 31469-15-5 |
|---|---|
| SMILES | CN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | RYXHLHJIEPGQMZ-UHFFFAOYSA-N |
Product Overview
9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) (CAS 31469-15-5), with molecular formula C20H28N6O8S2 and molecular weight 544.14 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine;methanesulfonic acid.
Chemical Property Profile of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)
Property Insights of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)
The XLogP value of 0.4222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate). The TPSA of 194.0 Ų indicates high polarity, suggesting 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) has 2 hydrogen bond donor(s) and 13 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-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)?
The CAS number of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) is 31469-15-5.
What is the molecular formula of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)?
The molecular formula of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) is C20H28N6O8S2.
What is the molecular weight of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)?
The molecular weight of 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) is 544.14 g/mol.
Where can I buy 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)?
You can request a quote for 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) 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-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.