2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate
TL;DR: 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate (CAS 29240-62-8) is a chemical compound with molecular formula C20H30N6O8S2 and molecular weight 546.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine
Also Known As: 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate, 9H-Purine, 2-(4-(2-(o-methoxyphenoxy)ethyl)-1-piperazinyl)-, bis(methanesulfonate), 2-{4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl}-7h-purine methanesulfonate(1:2), 1H-Purine, 2-[4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl]-, dimethanesulfonate, methanesulfonic acid,2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine
| Molecular Formula | C20H30N6O8S2 |
|---|---|
| Molecular Weight | 546.16 g/mol |
| LogP | 0.5705 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.1567 |
| Heavy Atoms | 36 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 29240-62-8 |
|---|---|
| SMILES | COC1=CC=CC=C1OCCN2CCN(CC2)C3=NC=C4C(=N3)N=CN4.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | VQVXPKVJRZPZKX-UHFFFAOYSA-N |
Product Overview
2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate (CAS 29240-62-8), with molecular formula C20H30N6O8S2 and molecular weight 546.16 g/mol. IUPAC: methanesulfonic acid;2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine.
Chemical Property Profile of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate
Property Insights of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate
The XLogP value of 0.5705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate. The TPSA of 205.0 Ų indicates high polarity, suggesting 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate has 3 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 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate?
The CAS number of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate is 29240-62-8.
What is the molecular formula of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate?
The molecular formula of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate is C20H30N6O8S2.
What is the molecular weight of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate?
The molecular weight of 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate is 546.16 g/mol.
Where can I buy 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate?
You can request a quote for 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.