4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate (CAS 304673-23-2) is a chemical compound with molecular formula C17H10N2O8 and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 3,5-dinitrobenzoate
Also Known As: BAS 00581603, 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate, 4-methyl-2-oxochromen-7-yl 3,5-dinitrobenzoate, (4-methyl-2-oxochromen-7-yl) 3,5-dinitrobenzoate, 3,5-Dinitro-benzoic acid 4-methyl-2-oxo-2H-chromen-7-yl ester
| Molecular Formula | C17H10N2O8 |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 3.13702 |
| Topological Polar Surface Area | 142.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.0437 |
| Heavy Atoms | 27 |
| Complexity | 1133.0474 |
Chemical Identifiers
| CAS Number | 304673-23-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate (CAS 304673-23-2), with molecular formula C17H10N2O8 and molecular weight 370.04 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 3,5-dinitrobenzoate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate
The XLogP value of 3.13702 indicates that 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.79 Ų indicates high polarity, suggesting 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 8 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 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate is 304673-23-2.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate is C17H10N2O8.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate is 370.04 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.