![8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/1485/148589-13-3.webp)
8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 148589-13-3) is a chemical compound with molecular formula C16H15ClN4O2 and molecular weight 330.08835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: Csc cpd, 8-(3-Chlorostyryl)caffeine, 8-CSC, (E)-8-(3-chlorostyryl)caffeine, 1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H15ClN4O2 |
| Molecular Weight | 330.08835 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.08835 Da |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=CC=C3)Cl |
| InChIKey | WBWFIUAVMCNYPG-UHFFFAOYSA-N |
Product Description
Applications: 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 148589-13-3) is a pharmaceutical intermediate with the molecular formula C16H15ClN4O2 and a molecular weight of 330.09 g/mol. Synonyms include Csc cpd and 8-(3-Chlorostyryl)caffeine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is 148589-13-3.
What is the molecular formula of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is C16H15ClN4O2.
What is the molecular weight of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is 330.08835 g/mol.
What are the applications of 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic...
Where can I buy 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-[2-(3-Chlorophenyl)ethen-1-yl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.