7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride
TL;DR: 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride (CAS 67553-49-5) is a chemical compound with molecular formula C17H22ClN5O4 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[2-(3,4-dihydroxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((2-(3,4-dihydroxyphenyl)ethyl)amino)ethyl)-1,3-dimethyl-, hydrochloride, 7-[2-[2-(3,4-dihydroxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-(2-{[2-(3,4-Dihydroxyphenyl)ethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239611
| Molecular Formula | C17H22ClN5O4 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 0.099 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.13602 |
| Heavy Atoms | 27 |
| Complexity | 1069.5966 |
Chemical Identifiers
| CAS Number | 67553-49-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CC(=C(C=C3)O)O.Cl |
Product Overview
7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride (CAS 67553-49-5), with molecular formula C17H22ClN5O4 and molecular weight 395.14 g/mol. IUPAC: 7-[2-[2-(3,4-dihydroxyphenyl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride
Property Insights of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride
The XLogP value of 0.099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride. Following Lipinski's Rule of Five, 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride has 3 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 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride?
The CAS number of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride is 67553-49-5.
What is the molecular formula of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride?
The molecular formula of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride is C17H22ClN5O4.
What is the molecular weight of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride?
The molecular weight of 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride is 395.14 g/mol.
Where can I buy 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride?
You can request a quote for 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(2-(3,4-Dihydroxyphenyl)ethylamino)ethyl)theophylline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.