Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride
TL;DR: Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride (CAS 85461-01-4) is a chemical compound with molecular formula C18H21Cl2N7O2 and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine
Also Known As: Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride, 7-(2-(2-(2,6-Dichlorophenyl)-3,3-dimethylguanidino)ethyl)theophylline hydrochloride, N,N-Dimethyl-N'-(beta-(theophyllinyl-7)ethyl)-N''-(2,6-dichlorophenyl)guanidine hcl, 3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-y, 3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine
| Molecular Formula | C18H21Cl2N7O2 |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 1.7702 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.11337 |
| Heavy Atoms | 29 |
| Complexity | 1187.1156 |
Chemical Identifiers
| CAS Number | 85461-01-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(NC3=C(C=CC=C3Cl)Cl)N(C)C |
Product Overview
Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride (CAS 85461-01-4), with molecular formula C18H21Cl2N7O2 and molecular weight 437.11 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-1,1-dimethylguanidine.
Chemical Property Profile of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride
Property Insights of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride
The XLogP value of 1.7702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride 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 Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride?
The CAS number of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride is 85461-01-4.
What is the molecular formula of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride?
The molecular formula of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride is C18H21Cl2N7O2.
What is the molecular weight of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride?
The molecular weight of Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride is 437.11 g/mol.
Where can I buy Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride?
You can request a quote for Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride 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-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(2-(2,6-dichlorophenyl)-3,3-dimethylguanidino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.