4-Iodoantipyrine
TL;DR: 4-Iodoantipyrine (CAS 129-81-7) is a chemical compound with molecular formula C11H11IN2O and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: IODOANTIPYRINE, 4-Iodoantipyrine, Iodopyrine, Iodophenazone, Antipyrine iodide
| Molecular Formula | C11H11IN2O |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.9916 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 129-81-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)I |
| InChIKey | ZZOBLCHCPLOXCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodoantipyrine (CAS 129-81-7), with molecular formula C11H11IN2O and molecular weight 313.99 g/mol. IUPAC: 4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one.
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
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 313.99 g/mol.
Where can I buy 4-Iodoantipyrine?
You can request a quote for 4-Iodoantipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodoantipyrine?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodoantipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.