3-acetyl-7-nitro-2H-chromen-2-one
TL;DR: 3-acetyl-7-nitro-2H-chromen-2-one (CAS 53653-18-2) is a chemical compound with molecular formula C11H7NO5 and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-7-nitrochromen-2-one
Also Known As: 3-acetyl-7-nitro-2H-chromen-2-one, 3-acetyl-7-nitrochromen-2-one, 3-acetyl-7-nitro-2-oxochromene, 3-Acetyl-7-nitro-chromen-2-one, BAS 00929955
| Molecular Formula | C11H7NO5 |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.03242 |
| Heavy Atoms | 17 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 53653-18-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C(C=C2)[N+](=O)[O-])OC1=O |
| InChIKey | RNXQGRCOCFLGCM-UHFFFAOYSA-N |
Product Overview
3-acetyl-7-nitro-2H-chromen-2-one (CAS 53653-18-2), with molecular formula C11H7NO5 and molecular weight 233.03 g/mol. IUPAC: 3-acetyl-7-nitrochromen-2-one.
Chemical Property Profile of 3-acetyl-7-nitro-2H-chromen-2-one
Property Insights of 3-acetyl-7-nitro-2H-chromen-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-7-nitro-2H-chromen-2-one. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-7-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-acetyl-7-nitro-2H-chromen-2-one has 0 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-acetyl-7-nitro-2H-chromen-2-one?
The CAS number of 3-acetyl-7-nitro-2H-chromen-2-one is 53653-18-2.
What is the molecular formula of 3-acetyl-7-nitro-2H-chromen-2-one?
The molecular formula of 3-acetyl-7-nitro-2H-chromen-2-one is C11H7NO5.
What is the molecular weight of 3-acetyl-7-nitro-2H-chromen-2-one?
The molecular weight of 3-acetyl-7-nitro-2H-chromen-2-one is 233.03 g/mol.
Where can I buy 3-acetyl-7-nitro-2H-chromen-2-one?
You can request a quote for 3-acetyl-7-nitro-2H-chromen-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-acetyl-7-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-7-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.