3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate
TL;DR: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate (CAS 637747-99-0) is a chemical compound with molecular formula C22H12ClNO6 and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-nitrobenzoate
Also Known As: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate, [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-nitrobenzoate, 3-(4-chlorophenyl)-4-oxochromen-7-yl 4-nitrobenzoate, F3139-1054, [3-(4-chlorophenyl)-4-oxo-chromen-7-yl] 4-nitrobenzoate
| Molecular Formula | C22H12ClNO6 |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 5.2408 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.0353 |
| Heavy Atoms | 30 |
| Complexity | 1326.8455 |
Chemical Identifiers
| CAS Number | 637747-99-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate (CAS 637747-99-0), with molecular formula C22H12ClNO6 and molecular weight 421.04 g/mol. IUPAC: [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-nitrobenzoate.
Chemical Property Profile of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate
Property Insights of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate
The XLogP value of 5.2408 indicates that 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 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 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate?
The CAS number of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate is 637747-99-0.
What is the molecular formula of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate?
The molecular formula of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate is C22H12ClNO6.
What is the molecular weight of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate?
The molecular weight of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate is 421.04 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate?
You can request a quote for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.