4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
TL;DR: 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester (CAS 30095-79-5) is a chemical compound with molecular formula C12H9NO6 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-nitro-4-oxochromene-2-carboxylate
Also Known As: Ethyl 6-nitro-4-oxo-4H-chromene-2-carboxylate, ethyl 6-nitro-4-oxochromene-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester, ethyl 6-nitrochromone-2-carboxylate, Ethyl 6-nitro-4-oxo-4H-1-benzopyran-2-carboxylate
| Molecular Formula | C12H9NO6 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.043 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 30095-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | RWGUGNHDBXRLSD-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, 6-nitro-4-oxo-, ethyl ester (CAS 30095-79-5), with molecular formula C12H9NO6 and molecular weight 263.04 g/mol. IUPAC: ethyl 6-nitro-4-oxochromene-2-carboxylate.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
Property Insights of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 6 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, 6-nitro-4-oxo-, ethyl ester?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester is 30095-79-5.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester is C12H9NO6.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester is 263.04 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid, 6-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, 6-nitro-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid, 6-nitro-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.