4-Iodoantipyrine
TL;DR: 4-Iodoantipyrine (CAS 129-81-7) is a chemical compound with molecular formula C11H11IN2O and molecular weight 313.9916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: IODOANTIPYRINE, 4-Iodoantipyrine, Iodopyrine, Iodophenazone, Antipyrine iodide
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11IN2O |
| Molecular Weight | 313.9916 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.9916 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)I |
| InChIKey | ZZOBLCHCPLOXCE-UHFFFAOYSA-N |
Product Description
Applications: 4-Iodoantipyrine is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. 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).
4-Iodoantipyrine (CAS 129-81-7) is a pharmaceutical intermediate with the molecular formula C11H11IN2O and a molecular weight of 313.99 g/mol. Synonyms include IODOANTIPYRINE and 4-Iodoantipyrine.
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 4-Iodoantipyrine
Property Insights of 4-Iodoantipyrine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodoantipyrine. With a topological polar surface area (TPSA) of 23.6 Ų, 4-Iodoantipyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodoantipyrine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Iodoantipyrine?
The CAS number of 4-Iodoantipyrine is 129-81-7.
What is the molecular formula of 4-Iodoantipyrine?
The molecular formula of 4-Iodoantipyrine is C11H11IN2O.
What is the molecular weight of 4-Iodoantipyrine?
The molecular weight of 4-Iodoantipyrine is 313.9916 g/mol.
What are the applications of 4-Iodoantipyrine?
4-Iodoantipyrine is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Iodoantipyrine?
You can request a quote for 4-Iodoantipyrine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Iodoantipyrine?
Yes, CoreyChem provides custom synthesis services for 4-Iodoantipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.