Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-
TL;DR: Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- (CAS 86071-01-4) is a chemical compound with molecular formula C22H26FN5O4 and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Sgd 145 80, 7-(3-(4-(p-Fluorobenzoyl)piperidino)-2-hydroxypropyl)theophylline, Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-, 7-(3-(4-(p-Fluorobenzoyl)piperidino)-2-hydroxypropyl)theophyllin, 7-(3-(4-(p-Fluorobenzoyl)piperidino)-2-hydroxypropyl)theophyllin [German]
| Molecular Formula | C22H26FN5O4 |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 0.5286 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.19687 |
| Heavy Atoms | 32 |
| Complexity | 1252.2924 |
Chemical Identifiers
| CAS Number | 86071-01-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)O |
Product Overview
Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- (CAS 86071-01-4), with molecular formula C22H26FN5O4 and molecular weight 443.20 g/mol. IUPAC: 7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-
Property Insights of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-
The XLogP value of 0.5286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-. The TPSA of 102.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- 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 Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-?
The CAS number of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- is 86071-01-4.
What is the molecular formula of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-?
The molecular formula of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- is C22H26FN5O4.
What is the molecular weight of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-?
The molecular weight of Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- is 443.20 g/mol.
Where can I buy Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-?
You can request a quote for Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)-2-hydroxypropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.