咖啡因氢碘酸盐
TL;DR: 咖啡因氢碘酸盐 (CAS 17135-90-9) is a chemical compound with molecular formula C8H11IN4O2 and molecular weight 321.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咖啡因氢碘酸盐
1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide
Also Known As: Caffeine hydroiodide, Caffeine, hydriodide, 2-chloro-anthracene, CAFFEINE, MONOHYDRIODIDE, 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide
| Molecular Formula | C8H11IN4O2 |
|---|---|
| Molecular Weight | 321.99 g/mol |
| LogP | -5.09 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.99268 |
| Heavy Atoms | 15 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 17135-90-9 |
|---|---|
| SMILES | C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[I-] |
| InChIKey | KBOPLBWQIZNEFF-UHFFFAOYSA-N |
Product Overview
咖啡因氢碘酸盐 (CAS 17135-90-9), with molecular formula C8H11IN4O2 and molecular weight 321.99 g/mol. IUPAC: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide.
Chemical Property Profile of 咖啡因氢碘酸盐
Property Insights of 咖啡因氢碘酸盐
The XLogP value of -5.09 indicates that 咖啡因氢碘酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.4 Ų, 咖啡因氢碘酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 咖啡因氢碘酸盐 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 咖啡因氢碘酸盐?
The CAS number of 咖啡因氢碘酸盐 is 17135-90-9.
What is the molecular formula of 咖啡因氢碘酸盐?
The molecular formula of 咖啡因氢碘酸盐 is C8H11IN4O2.
What is the molecular weight of 咖啡因氢碘酸盐?
The molecular weight of 咖啡因氢碘酸盐 is 321.99 g/mol.
Where can I buy 咖啡因氢碘酸盐?
You can request a quote for 咖啡因氢碘酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咖啡因氢碘酸盐?
Yes, KEHONG BIO provides custom synthesis services for 咖啡因氢碘酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.