8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate
TL;DR: 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate (CAS 303116-33-8) is a chemical compound with molecular formula C19H12ClNO7 and molecular weight 401.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chloro-2-nitrobenzoate
Also Known As: BIM-0001350.P001, 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate, 8-acetyl-4-methyl-2-oxochromen-7-yl 4-chloro-2-nitrobenzoate, (8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chloro-2-nitrobenzoate
| Molecular Formula | C19H12ClNO7 |
|---|---|
| Molecular Weight | 401.03 g/mol |
| LogP | 4.08482 |
| Topological Polar Surface Area | 116.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.03024 |
| Heavy Atoms | 28 |
| Complexity | 1212.863 |
Chemical Identifiers
| CAS Number | 303116-33-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate (CAS 303116-33-8), with molecular formula C19H12ClNO7 and molecular weight 401.03 g/mol. IUPAC: (8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chloro-2-nitrobenzoate.
Chemical Property Profile of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate
Property Insights of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate
The XLogP value of 4.08482 indicates that 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate?
The CAS number of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate is 303116-33-8.
What is the molecular formula of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate?
The molecular formula of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate is C19H12ClNO7.
What is the molecular weight of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate?
The molecular weight of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate is 401.03 g/mol.
Where can I buy 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate?
You can request a quote for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.