methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 91059-67-5) is a chemical compound with molecular formula C11H7NO6 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-nitro-2-oxochromene-3-carboxylate
Also Known As: methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate, methyl 6-nitro-2-oxochromene-3-carboxylate, methylnitrooxochromenecarboxylate, 3-methoxycarbonyl 6-nitrocoumarin, 2890AF
| Molecular Formula | C11H7NO6 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02734 |
| Heavy Atoms | 18 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 91059-67-5 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O |
| InChIKey | CVKSEQDWXKMNGP-UHFFFAOYSA-N |
Product Overview
methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 91059-67-5), with molecular formula C11H7NO6 and molecular weight 249.03 g/mol. IUPAC: methyl 6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-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 methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 91059-67-5.
What is the molecular formula of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is C11H7NO6.
What is the molecular weight of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 249.03 g/mol.
Where can I buy methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for methyl 6-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 methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.