RefChem:1058699
TL;DR: RefChem:1058699 (CAS 74693-59-7) is a chemical compound with molecular formula C18H16N4O5 and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-3-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate
Also Known As: 2(1H)-Quinolinone, 4-(acetyloxy)-1-methyl-3-(2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl)-, 4-(Acetyloxy)-1-methyl-3-(2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl)-2(1H)-quinolinone, [1-methyl-3-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate, RefChem:1058699, BRN 4589919
| Molecular Formula | C18H16N4O5 |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 2.2759 |
| Topological Polar Surface Area | 109.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.11206 |
| Heavy Atoms | 27 |
| Complexity | 1156.5038 |
Chemical Identifiers
| CAS Number | 74693-59-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)/C=C/C3=NC=C(N3C)[N+](=O)[O-] |
Product Overview
RefChem:1058699 (CAS 74693-59-7), with molecular formula C18H16N4O5 and molecular weight 368.11 g/mol. IUPAC: [1-methyl-3-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate.
Chemical Property Profile of RefChem:1058699
Property Insights of RefChem:1058699
The XLogP value of 2.2759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058699. The TPSA of 109.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058699. Following Lipinski's Rule of Five, RefChem:1058699 has 0 hydrogen bond donor(s) and 6 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 RefChem:1058699?
The CAS number of RefChem:1058699 is 74693-59-7.
What is the molecular formula of RefChem:1058699?
The molecular formula of RefChem:1058699 is C18H16N4O5.
What is the molecular weight of RefChem:1058699?
The molecular weight of RefChem:1058699 is 368.11 g/mol.
Where can I buy RefChem:1058699?
You can request a quote for RefChem:1058699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058699?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.