2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
TL;DR: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate (CAS 356079-52-2) is a chemical compound with molecular formula C17H15NO7 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
Also Known As: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate, [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
| Molecular Formula | C17H15NO7 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.08484 |
| Heavy Atoms | 25 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 356079-52-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(OC(=O)C=C2C)C)[N+](=O)[O-] |
| InChIKey | UBADWQUUVXVQHN-UHFFFAOYSA-N |
Product Overview
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate (CAS 356079-52-2), with molecular formula C17H15NO7 and molecular weight 345.08 g/mol. IUPAC: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Property Insights of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate. Following Lipinski's Rule of Five, 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-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 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate?
The CAS number of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate is 356079-52-2.
What is the molecular formula of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate?
The molecular formula of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate is C17H15NO7.
What is the molecular weight of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate?
The molecular weight of 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate is 345.08 g/mol.
Where can I buy 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate?
You can request a quote for 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.