Caffeine Citrate
TL;DR: Caffeine Citrate (CAS 69-22-7) is a chemical compound with molecular formula C14H18N4O9 and molecular weight 386.1074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Caffeine citrate, Cafcit, Caffeine, Citrated, peyona, Caffeina citrate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18N4O9 |
| Molecular Weight | 386.1074 g/mol |
| XLogP | -2.28 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1074 Da |
| Heavy Atoms | 27 |
| Complexity | 520.0 |
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | RCQXSQPPHJPGOF-UHFFFAOYSA-N |
Product Description
Applications: Caffeine Citrate is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. 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).
Caffeine Citrate (CAS 69-22-7) is a pharmaceutical intermediate with the molecular formula C14H18N4O9 and a molecular weight of 386.11 g/mol. Synonyms include Caffeine citrate and Cafcit.
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 Caffeine Citrate
Property Insights of Caffeine Citrate
The XLogP value of -2.28 indicates that Caffeine Citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Caffeine Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caffeine Citrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Caffeine Citrate?
The CAS number of Caffeine Citrate is 69-22-7.
What is the molecular formula of Caffeine Citrate?
The molecular formula of Caffeine Citrate is C14H18N4O9.
What is the molecular weight of Caffeine Citrate?
The molecular weight of Caffeine Citrate is 386.1074 g/mol.
What are the applications of Caffeine Citrate?
Caffeine Citrate is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. 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...
Where can I buy Caffeine Citrate?
You can request a quote for Caffeine Citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Caffeine Citrate?
Yes, CoreyChem provides custom synthesis services for Caffeine Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.