Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride
TL;DR: Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride (CAS 52986-16-0) is a chemical compound with molecular formula C19H26ClN5O4 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride, 7-(2-(3,4-Dimethoxyphenethylamino)ethyl)theophylline monohydrochloride, 7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-(2-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:384376
| Molecular Formula | C19H26ClN5O4 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 0.705 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.16733 |
| Heavy Atoms | 29 |
| Complexity | 1102.3982 |
Chemical Identifiers
| CAS Number | 52986-16-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC(=C(C=C3)OC)OC.Cl |
Product Overview
Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride (CAS 52986-16-0), with molecular formula C19H26ClN5O4 and molecular weight 423.17 g/mol. IUPAC: 7-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride
Property Insights of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride
The XLogP value of 0.705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride 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-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride?
The CAS number of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride is 52986-16-0.
What is the molecular formula of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride?
The molecular formula of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride is C19H26ClN5O4.
What is the molecular weight of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride?
The molecular weight of Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride is 423.17 g/mol.
Where can I buy Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride?
You can request a quote for Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(3,4-dimethoxyphenethylamino)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.