4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate (CAS 304673-31-2) is a chemical compound with molecular formula C17H10ClNO6 and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 2-chloro-4-nitrobenzoate
Also Known As: 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate, BAS 00581592, BIM-0026675.P001, (4-methyl-2-oxochromen-7-yl) 2-chloro-4-nitrobenzoate, AH-034/33496038
| Molecular Formula | C17H10ClNO6 |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 3.88222 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.01965 |
| Heavy Atoms | 25 |
| Complexity | 1072.4114 |
Chemical Identifiers
| CAS Number | 304673-31-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate (CAS 304673-31-2), with molecular formula C17H10ClNO6 and molecular weight 359.02 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 2-chloro-4-nitrobenzoate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate
The XLogP value of 3.88222 indicates that 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate 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 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate 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 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate is 304673-31-2.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate is C17H10ClNO6.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate is 359.02 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.