咪唑喹啉酸
TL;DR: 咪唑喹啉酸 (CAS 81335-37-7) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咪唑喹啉酸
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
Also Known As: IMAZAQUIN, Imazaquin acid, Scepter Herbicide, Imazaquine, Scepter
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
| Melting Point | 219-222 °C (decomposition) |
| Solubility | Sol in water /Imazaquin ammonium salt/ |
| Vapor Pressure | <0.013 mPa @ 60 °C |
Chemical Identifiers
| CAS Number | 81335-37-7 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C |
| InChIKey | CABMTIJINOIHOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
咪唑喹啉酸 (CAS 81335-37-7), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid.
Chemical Property Profile of 咪唑喹啉酸
Property Insights of 咪唑喹啉酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 咪唑喹啉酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 咪唑喹啉酸. Following Lipinski's Rule of Five, 咪唑喹啉酸 has 2 hydrogen bond donor(s) and 5 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 咪唑喹啉酸?
The CAS number of 咪唑喹啉酸 is 81335-37-7.
What is the molecular formula of 咪唑喹啉酸?
The molecular formula of 咪唑喹啉酸 is C17H17N3O3.
What is the molecular weight of 咪唑喹啉酸?
The molecular weight of 咪唑喹啉酸 is 311.13 g/mol.
Where can I buy 咪唑喹啉酸?
You can request a quote for 咪唑喹啉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咪唑喹啉酸?
Yes, KEHONG BIO provides custom synthesis services for 咪唑喹啉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.