Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
TL;DR: Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride (CAS 1239-54-9) is a chemical compound with molecular formula C17H22ClN5O2 and molecular weight 363.1462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-7-[2-(2-phenylethylamino)ethyl]purine-2,6-dione;hydrochloride
Also Known As: beta-PT, 7-(2-(Phenethylamino)ethyl)theophylline hydrochloride, Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride, 7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid, 7-(beta-(beta'-Phenyl-aethyl)aminoaethyl)-theophyllin-hydrochlorid [German]
Technical Specifications
| Molecular Formula | C17H22ClN5O2 |
| Molecular Weight | 363.1462 g/mol |
| XLogP | 0.69 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.1462 Da |
| Heavy Atoms | 25 |
| Complexity | 466.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC=CC=C3.Cl |
| InChIKey | IRTFXFYHQCPNEH-UHFFFAOYSA-N |
Chemical Property Profile of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
Property Insights of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride?
The CAS number of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride is 1239-54-9.
What is the molecular formula of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride?
The molecular formula of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride is C17H22ClN5O2.
What is the molecular weight of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride?
The molecular weight of Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride is 363.1462 g/mol.
Where can I buy Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride?
You can request a quote for Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Theophylline, 7-(2-(phenethylamino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.