Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
TL;DR: Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride (CAS 87798-87-6) is a chemical compound with molecular formula C23H31Cl2F3N6O2 and molecular weight 550.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione;dihydrochloride
Also Known As: Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride, 7-(5-(4-(m-Trifluoromethylphenyl)-1-piperazinyl)pentyl)theophylline dihydrochloride, 7-(5-(4-(m-Trifluoromethylphenyl)piperazinyl-(1))-n-pentyl)-theophyllin dihydrochlorid, 1,3-Dimethyl-7-(5-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}pentyl)-3,7-dihydro-1H-purine-2,6-dione dihydrochloride, 1,3-Dimethyl-7-(5-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pentyl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/2)
| Molecular Formula | C23H31Cl2F3N6O2 |
|---|---|
| Molecular Weight | 550.18 g/mol |
| LogP | 3.2886 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.1838 |
| Heavy Atoms | 36 |
| Complexity | 1279.5604 |
Chemical Identifiers
| CAS Number | 87798-87-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl |
Product Overview
Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride (CAS 87798-87-6), with molecular formula C23H31Cl2F3N6O2 and molecular weight 550.18 g/mol. IUPAC: 1,3-dimethyl-7-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]purine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
Property Insights of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
The XLogP value of 3.2886 indicates that Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
The CAS number of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is 87798-87-6.
What is the molecular formula of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
The molecular formula of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is C23H31Cl2F3N6O2.
What is the molecular weight of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
The molecular weight of Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is 550.18 g/mol.
Where can I buy Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
You can request a quote for Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.