依滅草
TL;DR: 依滅草 (CAS 81334-34-1) is a chemical compound with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依滅草
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Also Known As: Imazapyr, Imazapyr acid, Charper, Chopper, Arsenal
| Molecular Formula | C13H15N3O3 |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.11133 |
| Heavy Atoms | 19 |
| Complexity | 433.0 |
| Melting Point | 171 °C |
| Density | 0.34 g/mL |
| Solubility | In acetone 3.39, dimethyl sulfoxide 47.1, hexane 0.00095, methanol 10.5, dichloromethane 8.72, toluene 0.180 (25 °C, all in g/100 mL) |
| Vapor Pressure | VP: <0.013 mPa at 60 °C |
Chemical Identifiers
| CAS Number | 81334-34-1 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C |
| InChIKey | CLQMBPJKHLGMQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依滅草 (CAS 81334-34-1), with molecular formula C13H15N3O3 and molecular weight 261.11 g/mol. IUPAC: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid.
Chemical Property Profile of 依滅草
Property Insights of 依滅草
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 依滅草. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 依滅草. Following Lipinski's Rule of Five, 依滅草 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 依滅草?
The CAS number of 依滅草 is 81334-34-1.
What is the molecular formula of 依滅草?
The molecular formula of 依滅草 is C13H15N3O3.
What is the molecular weight of 依滅草?
The molecular weight of 依滅草 is 261.11 g/mol.
Where can I buy 依滅草?
You can request a quote for 依滅草 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依滅草?
Yes, KEHONG BIO provides custom synthesis services for 依滅草 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.