9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)
TL;DR: 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) (CAS 31465-35-7) is a chemical compound with molecular formula C24H30N6O6S2 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzhydrylpiperazin-1-yl)-7H-purine;methanesulfonic acid
Also Known As: (Benzhydryl-4 piperazinyl-1)-6 purine bismethanesulfonate, 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate), 6-(4-Diphenylmethyl-1-piperazinyl)-9H-purine dimethanesulfonate, 6-[4-(diphenylmethyl)piperazin-1-yl]-7h-purine methanesulfonate(1:2), 6-(4-benzhydrylpiperazin-1-yl)-7H-purine,methanesulfonic acid
| Molecular Formula | C24H30N6O6S2 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 2.2725 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 562.1668 |
| Heavy Atoms | 38 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 31465-35-7 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=NC=NC3=C2NC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | HIKFPJJUSMZSQN-UHFFFAOYSA-N |
Product Overview
9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) (CAS 31465-35-7), with molecular formula C24H30N6O6S2 and molecular weight 562.17 g/mol. IUPAC: 6-(4-benzhydrylpiperazin-1-yl)-7H-purine;methanesulfonic acid.
Chemical Property Profile of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)
Property Insights of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)
The XLogP value of 2.2725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate). The TPSA of 186.0 Ų indicates high polarity, suggesting 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) has 3 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, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)?
The CAS number of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) is 31465-35-7.
What is the molecular formula of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)?
The molecular formula of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) is C24H30N6O6S2.
What is the molecular weight of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)?
The molecular weight of 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) is 562.17 g/mol.
Where can I buy 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)?
You can request a quote for 9H-Purine, 6-(4-benzhydryl-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, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.