4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester (CAS 30192-14-4) is a chemical compound with molecular formula C12H9NO7 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-hydroxy-8-nitro-4-oxochromene-2-carboxylate
Also Known As: Ethyl 7-hydroxy-8-nitro-4-oxo-4H-chromene-2-carboxylate, ethyl 7-hydroxy-8-nitro-4-oxochromen-2-carboxylate, ethyl 7-hydroxy-8-nitro-4-oxochromene-2-carboxylate, Ethyl 7-hydroxy-8-nitro-4-oxo-4H-chromene-2-carboxylate #, 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester
| Molecular Formula | C12H9NO7 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0379 |
| Heavy Atoms | 20 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 30192-14-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)[N+](=O)[O-] |
| InChIKey | XNPCFJMLTDVSRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester (CAS 30192-14-4), with molecular formula C12H9NO7 and molecular weight 279.04 g/mol. IUPAC: ethyl 7-hydroxy-8-nitro-4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester has 1 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 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester is 30192-14-4.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester is C12H9NO7.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester is 279.04 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-8-nitro-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.