ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 385418-75-7) 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 7-nitro-2-oxochromene-3-carboxylate
Also Known As: ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate, NIOSH/DJ2460000, ethyl 7-nitro-2-oxochromene-3-carboxylate, Ethyl 7-nitrocoumarin-3-carboxylate, ethyl 7-nitro-2-oxo-chromene-3-carboxylate
| Molecular Formula | C12H9NO6 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 1.8779 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.043 |
| Heavy Atoms | 19 |
| Complexity | 717.7217 |
Chemical Identifiers
| CAS Number | 385418-75-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C(C=C2)[N+](=O)[O-])OC1=O |
Product Overview
ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 385418-75-7), with molecular formula C12H9NO6 and molecular weight 263.04 g/mol. IUPAC: ethyl 7-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 1.8779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate 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 ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate is 385418-75-7.
What is the molecular formula of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate is C12H9NO6.
What is the molecular weight of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate is 263.04 g/mol.
Where can I buy ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.