2-oxo-2H-chromen-7-yl 4-chlorobenzoate
TL;DR: 2-oxo-2H-chromen-7-yl 4-chlorobenzoate (CAS 131425-60-0) is a chemical compound with molecular formula C16H9ClO4 and molecular weight 300.01895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-oxochromen-7-yl) 4-chlorobenzoate
Also Known As: 2-oxo-2H-chromen-7-yl 4-chlorobenzoate, 7-coumarinyl p-chlorobenzoate, (2-oxochromen-7-yl) 4-chlorobenzoate, 7-(4-CHLOROBENZOYLOXY)COUMARIN, VU0488753-1
Technical Specifications
| Molecular Formula | C16H9ClO4 |
| Molecular Weight | 300.01895 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.01895 Da |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | VRYOATOHSLRGGQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate
Property Insights of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate
The XLogP value of 4.0 indicates that 2-oxo-2H-chromen-7-yl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-oxo-2H-chromen-7-yl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-7-yl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
The CAS number of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate is 131425-60-0.
What is the molecular formula of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
The molecular formula of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate is C16H9ClO4.
What is the molecular weight of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
The molecular weight of 2-oxo-2H-chromen-7-yl 4-chlorobenzoate is 300.01895 g/mol.
Where can I buy 2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
You can request a quote for 2-oxo-2H-chromen-7-yl 4-chlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-oxo-2H-chromen-7-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.