8-Chlorotheophylline
TL;DR: 8-Chlorotheophylline (CAS 85-18-7) is a chemical compound with molecular formula C7H7ClN4O2 and molecular weight 214.02576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Chlorotheophylline, chlortheophylline, chlorotheophylline, Piprinhydrinate, 1,3-Dimethyl-8-chloroxanthine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClN4O2 |
| Molecular Weight | 214.02576 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.02576 Da |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl |
| InChIKey | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
Product Description
Applications: 8-Chlorotheophylline 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-Chlorotheophylline is a pharmaceutical intermediate identified by CAS number 85-18-7 and the molecular formula C7H7ClN4O2 and a molecular weight of 214.03 g/mol. Synonyms include 8-Chlorotheophylline and chlortheophylline.
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-Chlorotheophylline
Property Insights of 8-Chlorotheophylline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chlorotheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chlorotheophylline. Following Lipinski's Rule of Five, 8-Chlorotheophylline 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
What is the CAS number of 8-Chlorotheophylline?
The CAS number of 8-Chlorotheophylline is 85-18-7.
What is the molecular formula of 8-Chlorotheophylline?
The molecular formula of 8-Chlorotheophylline is C7H7ClN4O2.
What is the molecular weight of 8-Chlorotheophylline?
The molecular weight of 8-Chlorotheophylline is 214.02576 g/mol.
What are the applications of 8-Chlorotheophylline?
8-Chlorotheophylline 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...
Where can I buy 8-Chlorotheophylline?
You can request a quote for 8-Chlorotheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Chlorotheophylline?
Yes, CoreyChem provides custom synthesis services for 8-Chlorotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.