3-Acetamido-6-nitrochromen-2-one
TL;DR: 3-Acetamido-6-nitrochromen-2-one (CAS 787-63-3) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-2-oxochromen-3-yl)acetamide
Also Known As: Maybridge1_000929, 3-Acetamido-6-nitrochromen-2-one, 3-acetamido-6-nitrocoumarin, 3-(Acetylamino)-6-nitrocoumarin, N-(6-Nitro-2-oxo-2H-chromen-3-yl)acetamide
| Molecular Formula | C11H8N2O5 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.04332 |
| Heavy Atoms | 18 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 787-63-3 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O |
| InChIKey | XFJUNGZIABENHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetamido-6-nitrochromen-2-one (CAS 787-63-3), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: N-(6-nitro-2-oxochromen-3-yl)acetamide.
Chemical Property Profile of 3-Acetamido-6-nitrochromen-2-one
Property Insights of 3-Acetamido-6-nitrochromen-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamido-6-nitrochromen-2-one. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamido-6-nitrochromen-2-one. Following Lipinski's Rule of Five, 3-Acetamido-6-nitrochromen-2-one has 1 hydrogen bond donor(s) and 5 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 3-Acetamido-6-nitrochromen-2-one?
The CAS number of 3-Acetamido-6-nitrochromen-2-one is 787-63-3.
What is the molecular formula of 3-Acetamido-6-nitrochromen-2-one?
The molecular formula of 3-Acetamido-6-nitrochromen-2-one is C11H8N2O5.
What is the molecular weight of 3-Acetamido-6-nitrochromen-2-one?
The molecular weight of 3-Acetamido-6-nitrochromen-2-one is 248.04 g/mol.
Where can I buy 3-Acetamido-6-nitrochromen-2-one?
You can request a quote for 3-Acetamido-6-nitrochromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamido-6-nitrochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-6-nitrochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.