benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
TL;DR: benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 873577-77-6) is a chemical compound with molecular formula C17H11NO6 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-nitro-2-oxochromene-3-carboxylate
Also Known As: benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate, benzyl 6-nitro-2-oxochromene-3-carboxylate, phenylmethyl 6-nitro-2-oxochromene-3-carboxylate, VU0508179-1, AB00681810-01
| Molecular Formula | C17H11NO6 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 3.0582 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.05862 |
| Heavy Atoms | 24 |
| Complexity | 977.28735 |
Chemical Identifiers
| CAS Number | 873577-77-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
Product Overview
benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate (CAS 873577-77-6), with molecular formula C17H11NO6 and molecular weight 325.06 g/mol. IUPAC: benzyl 6-nitro-2-oxochromene-3-carboxylate.
Chemical Property Profile of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
Property Insights of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.0582 indicates that benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, benzyl 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 benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The CAS number of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 873577-77-6.
What is the molecular formula of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is C17H11NO6.
What is the molecular weight of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate is 325.06 g/mol.
Where can I buy benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for benzyl 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 benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-nitro-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.