9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate
TL;DR: 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate (CAS 69440-62-6) is a chemical compound with molecular formula C32H38N12O3 and molecular weight 638.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine);hydrate
Also Known As: C16H18N6O.1/2H2O, 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate, 2-(4-(o-Methoxyphenyl)-1-piperazinyl)-9H-purine hemihydrate, C16-H18-N6-O.1/2H2-O, 2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine hydrate
| Molecular Formula | C32H38N12O3 |
|---|---|
| Molecular Weight | 638.32 g/mol |
| LogP | 2.5515 |
| Topological Polar Surface Area | 171.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 638.319 |
| Heavy Atoms | 47 |
| Complexity | 1759.6179 |
Chemical Identifiers
| CAS Number | 69440-62-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.COC1=CC=CC=C1N2CCN(CC2)C3=NC=C4C(=N3)N=CN4.O |
Product Overview
9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate (CAS 69440-62-6), with molecular formula C32H38N12O3 and molecular weight 638.32 g/mol. IUPAC: bis(2-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine);hydrate.
Chemical Property Profile of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate
Property Insights of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate
The XLogP value of 2.5515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate. The TPSA of 171.84 Ų indicates high polarity, suggesting 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate has 2 hydrogen bond donor(s) and 12 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, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate?
The CAS number of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate is 69440-62-6.
What is the molecular formula of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate?
The molecular formula of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate is C32H38N12O3.
What is the molecular weight of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate?
The molecular weight of 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate is 638.32 g/mol.
Where can I buy 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate?
You can request a quote for 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.