7-(3-(2- theophyllinehydrochloride
TL;DR: 7-(3-(2- theophyllinehydrochloride (CAS 85461-02-5) is a chemical compound with molecular formula C19H24Cl3N7O2 and molecular weight 487.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-1,1-dimethylguanidine;hydrochloride
Also Known As: 7-(3-(2- theophyllinehydrochloride, Theophylline, 7-(3-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)propyl)-, hydrochloride, 7-(3-(2-(2,6-Dichlorophenyl)-3,3-dimethylguanidino)propyl)theophylline hydrochloride, 3-(2,6-dichlorophenyl)-2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-1,1-dimethylguanidine hydrochloride, 3-(2,6-dichlorophenyl)-2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-1,1-dimethylguanidine,hydrochloride
| Molecular Formula | C19H24Cl3N7O2 |
|---|---|
| Molecular Weight | 487.11 g/mol |
| LogP | 2.5821 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.1057 |
| Heavy Atoms | 31 |
| Complexity | 1207.4401 |
Chemical Identifiers
| CAS Number | 85461-02-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN=C(NC3=C(C=CC=C3Cl)Cl)N(C)C.Cl |
Product Overview
7-(3-(2- theophyllinehydrochloride (CAS 85461-02-5), with molecular formula C19H24Cl3N7O2 and molecular weight 487.11 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-1,1-dimethylguanidine;hydrochloride.
Chemical Property Profile of 7-(3-(2- theophyllinehydrochloride
Property Insights of 7-(3-(2- theophyllinehydrochloride
The XLogP value of 2.5821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-(2- theophyllinehydrochloride. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(2- theophyllinehydrochloride. Following Lipinski's Rule of Five, 7-(3-(2- theophyllinehydrochloride has 1 hydrogen bond donor(s) and 4 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-(3-(2- theophyllinehydrochloride?
The CAS number of 7-(3-(2- theophyllinehydrochloride is 85461-02-5.
What is the molecular formula of 7-(3-(2- theophyllinehydrochloride?
The molecular formula of 7-(3-(2- theophyllinehydrochloride is C19H24Cl3N7O2.
What is the molecular weight of 7-(3-(2- theophyllinehydrochloride?
The molecular weight of 7-(3-(2- theophyllinehydrochloride is 487.11 g/mol.
Where can I buy 7-(3-(2- theophyllinehydrochloride?
You can request a quote for 7-(3-(2- theophyllinehydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-(2- theophyllinehydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(2- theophyllinehydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.