2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate
TL;DR: 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate (CAS 516467-27-9) is a chemical compound with molecular formula C26H20O5 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-oxochromene-3-carboxylate
Also Known As: 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate, [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-oxochromene-3-carboxylate
| Molecular Formula | C26H20O5 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 5.19084 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.13107 |
| Heavy Atoms | 31 |
| Complexity | 1335.0199 |
Chemical Identifiers
| CAS Number | 516467-27-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3=O)C |
Product Overview
2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate (CAS 516467-27-9), with molecular formula C26H20O5 and molecular weight 412.13 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-oxochromene-3-carboxylate.
Chemical Property Profile of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate
Property Insights of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate
The XLogP value of 5.19084 indicates that 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate?
The CAS number of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate is 516467-27-9.
What is the molecular formula of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate is C26H20O5.
What is the molecular weight of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate is 412.13 g/mol.
Where can I buy 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl 2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.