6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one
TL;DR: 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one (CAS 132018-13-4) is a chemical compound with molecular formula C18H13NO7 and molecular weight 355.0692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-methoxy-2-(4-nitrophenyl)-4-oxochromene-3-carboxylate
Also Known As: 6-METHOXY-3-(METHOXYCARBONYL)-2-(4-NITROPHENYL)-4H-BENZOPYRAN-4-ONE, methyl 6-methoxy-2-(4-nitrophenyl)-4-oxochromene-3-carboxylate, methyl 6-methoxy-2-(4-nitrophenyl)-4-oxo-4H-chromene-3-carboxylate, Methyl 6-methoxy-2-(4-nitrophenyl)-4-oxo-chromene-3-carboxylate, 4H-1-Benzopyran-3-carboxylic acid, 6-methoxy-2-(4-nitrophenyl)-4-oxo-, methyl ester
Technical Specifications
| Molecular Formula | C18H13NO7 |
| Molecular Weight | 355.0692 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.0692 Da |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
| SMILES | COC1=CC2=C(C=C1)OC(=C(C2=O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | BJLXUOUDXYTEOD-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one
Property Insights of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one
The XLogP value of 3.0 indicates that 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one. Following Lipinski's Rule of Five, 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one 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
What is the CAS number of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one?
The CAS number of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one is 132018-13-4.
What is the molecular formula of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one?
The molecular formula of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one is C18H13NO7.
What is the molecular weight of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one?
The molecular weight of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one is 355.0692 g/mol.
Where can I buy 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one?
You can request a quote for 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.