(E)-8-(3-Chlorostyryl)-1,3-diethylxanthine
TL;DR: (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine (CAS 155271-62-8) is a chemical compound with molecular formula C17H17ClN4O2 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Also Known As: (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine, (E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-diethyl-, (E)-, 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione, RefChem:1050924
| Molecular Formula | C17H17ClN4O2 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.7499 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.104 |
| Heavy Atoms | 24 |
| Complexity | 1042.9056 |
Chemical Identifiers
| CAS Number | 155271-62-8 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=CC=C3)Cl |
Product Overview
(E)-8-(3-Chlorostyryl)-1,3-diethylxanthine (CAS 155271-62-8), with molecular formula C17H17ClN4O2 and molecular weight 344.10 g/mol. IUPAC: 8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione.
Chemical Property Profile of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine
Property Insights of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine
The XLogP value of 2.7499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine. Following Lipinski's Rule of Five, (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine has 1 hydrogen bond donor(s) and 3 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 (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine?
The CAS number of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine is 155271-62-8.
What is the molecular formula of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine?
The molecular formula of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine is C17H17ClN4O2.
What is the molecular weight of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine?
The molecular weight of (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine is 344.10 g/mol.
Where can I buy (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine?
You can request a quote for (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.