1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate
TL;DR: 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate (CAS 683248-30-8) is a chemical compound with molecular formula C20H15NO7 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-nitro-2-oxochromene-3-carboxylate
Also Known As: BAS 04999584, [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-nitro-2-oxochromene-3-carboxylate, 1-methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate, 1-oxo-1-(p-tolyl)propan-2-yl 6-nitro-2-oxo-2H-chromene-3-carboxylate, 1-(4-methylphenyl)-1-oxopropan-2-yl 6-nitro-2-oxo-2H-chromene-3-carboxylate
| Molecular Formula | C20H15NO7 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 3.43782 |
| Topological Polar Surface Area | 116.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.08484 |
| Heavy Atoms | 28 |
| Complexity | 1145.4231 |
Chemical Identifiers
| CAS Number | 683248-30-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate (CAS 683248-30-8), with molecular formula C20H15NO7 and molecular weight 381.08 g/mol. IUPAC: [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate
Property Insights of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate
The XLogP value of 3.43782 indicates that 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate. Following Lipinski's Rule of Five, 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate?
The CAS number of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate is 683248-30-8.
What is the molecular formula of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate?
The molecular formula of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate is C20H15NO7.
What is the molecular weight of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate?
The molecular weight of 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate is 381.08 g/mol.
Where can I buy 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate?
You can request a quote for 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(4-methylphenyl)-2-oxoethyl 6-nitro-2-oxochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.