N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide
TL;DR: N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide (CAS 840-05-1) 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-(8-nitro-2-oxochromen-3-yl)acetamide
Also Known As: 3-acetamido-8-nitrocoumarin, N-(8-nitro-2-oxochromen-3-yl)acetamide, N-(8-Nitro-2-oxo-2H-chromen-3-yl)acetamide, 3-acetylamino-8-nitro-chromen-2-one, BAS 01403601
| 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 | 840-05-1 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C(=CC=C2)[N+](=O)[O-])OC1=O |
| InChIKey | WMOWPQGUZSANTO-UHFFFAOYSA-N |
Product Overview
N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide (CAS 840-05-1), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: N-(8-nitro-2-oxochromen-3-yl)acetamide.
Chemical Property Profile of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide
Property Insights of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide. Following Lipinski's Rule of Five, N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide 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 N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide?
The CAS number of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide is 840-05-1.
What is the molecular formula of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide?
The molecular formula of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide is C11H8N2O5.
What is the molecular weight of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide?
The molecular weight of N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide is 248.04 g/mol.
Where can I buy N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide?
You can request a quote for N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(8-Nitro-2-oxo-2H-1-benzopyran-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.