para-Imazamethabenz methyl
TL;DR: para-Imazamethabenz methyl (CAS 81405-85-8) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
Also Known As: Imazamethabenz-methyl, Assert, Dagger, Imazamethabenz, Imazmethabenz
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 472.0 |
| Melting Point | 143 - 151 °C |
Chemical Identifiers
| CAS Number | 81405-85-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C |
| InChIKey | FFCCBBNQPIMUJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
para-Imazamethabenz methyl (CAS 81405-85-8), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate.
Chemical Property Profile of para-Imazamethabenz methyl
Property Insights of para-Imazamethabenz methyl
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for para-Imazamethabenz methyl. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for para-Imazamethabenz methyl. Following Lipinski's Rule of Five, para-Imazamethabenz methyl 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 para-Imazamethabenz methyl?
The CAS number of para-Imazamethabenz methyl is 81405-85-8.
What is the molecular formula of para-Imazamethabenz methyl?
The molecular formula of para-Imazamethabenz methyl is C16H20N2O3.
What is the molecular weight of para-Imazamethabenz methyl?
The molecular weight of para-Imazamethabenz methyl is 288.15 g/mol.
Where can I buy para-Imazamethabenz methyl?
You can request a quote for para-Imazamethabenz methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for para-Imazamethabenz methyl?
Yes, KEHONG BIO provides custom synthesis services for para-Imazamethabenz methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.