1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-
TL;DR: 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- (CAS 67351-23-9) is a chemical compound with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(2-hydroxy-3-(4-(p-xylyl)-1-piperazinyl)propyl)-, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-, 1H-Purine-2,6-dione, 7-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-hydroxypropyl]-3,7-dihydro-1,3-dimethyl-, 7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione, 7-{3-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H30N6O3 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 0.23364 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.23795 |
| Heavy Atoms | 31 |
| Complexity | 1216.4349 |
Chemical Identifiers
| CAS Number | 67351-23-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2CCN(CC2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O |
Product Overview
1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- (CAS 67351-23-9), with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol. IUPAC: 7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-
Property Insights of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-
The XLogP value of 0.23364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-. Following Lipinski's Rule of Five, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-?
The CAS number of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- is 67351-23-9.
What is the molecular formula of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-?
The molecular formula of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- is C22H30N6O3.
What is the molecular weight of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-?
The molecular weight of 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- is 426.24 g/mol.
Where can I buy 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-?
You can request a quote for 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-xylyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.