3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate
TL;DR: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate (CAS 618391-39-2) is a chemical compound with molecular formula C22H13ClO4 and molecular weight 376.05 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] benzoate
Also Known As: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate, [3-(4-chlorophenyl)-4-oxochromen-7-yl] benzoate, 3-(4-chlorophenyl)-4-oxochromen-7-yl benzoate, F3139-1129
| Molecular Formula | C22H13ClO4 |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 5.3326 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.05023 |
| Heavy Atoms | 27 |
| Complexity | 1178.5743 |
Chemical Identifiers
| CAS Number | 618391-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate (CAS 618391-39-2), with molecular formula C22H13ClO4 and molecular weight 376.05 g/mol. IUPAC: [3-(4-chlorophenyl)-4-oxochromen-7-yl] benzoate.
Chemical Property Profile of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate
Property Insights of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate
The XLogP value of 5.3326 indicates that 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate has 0 hydrogen bond donor(s) and 4 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 benzoate?
The CAS number of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate is 618391-39-2.
What is the molecular formula of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate?
The molecular formula of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate is C22H13ClO4.
What is the molecular weight of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate?
The molecular weight of 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate is 376.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate?
You can request a quote for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.