4-(Phenyl)-5,7-diacetoxycoumarin
TL;DR: 4-(Phenyl)-5,7-diacetoxycoumarin (CAS 24258-38-6) is a chemical compound with molecular formula C19H14O6 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-2-oxo-4-phenylchromen-7-yl) acetate
Also Known As: 4-(Phenyl)-5,7-diacetoxycoumarin, IFLab1_001477, 2-oxo-4-phenyl-2H-chromene-5,7-diyl diacetate, 5-(acetyloxy)-2-oxo-4-phenyl-2H-chromen-7-yl acetate, AE-848/11244675
| Molecular Formula | C19H14O6 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.07904 |
| Heavy Atoms | 25 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 24258-38-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1)OC(=O)C |
| InChIKey | KOLTWCNKPWEBQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenyl)-5,7-diacetoxycoumarin (CAS 24258-38-6), with molecular formula C19H14O6 and molecular weight 338.08 g/mol. IUPAC: (5-acetyloxy-2-oxo-4-phenylchromen-7-yl) acetate.
Chemical Property Profile of 4-(Phenyl)-5,7-diacetoxycoumarin
Property Insights of 4-(Phenyl)-5,7-diacetoxycoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenyl)-5,7-diacetoxycoumarin. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenyl)-5,7-diacetoxycoumarin. Following Lipinski's Rule of Five, 4-(Phenyl)-5,7-diacetoxycoumarin 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-(Phenyl)-5,7-diacetoxycoumarin?
The CAS number of 4-(Phenyl)-5,7-diacetoxycoumarin is 24258-38-6.
What is the molecular formula of 4-(Phenyl)-5,7-diacetoxycoumarin?
The molecular formula of 4-(Phenyl)-5,7-diacetoxycoumarin is C19H14O6.
What is the molecular weight of 4-(Phenyl)-5,7-diacetoxycoumarin?
The molecular weight of 4-(Phenyl)-5,7-diacetoxycoumarin is 338.08 g/mol.
Where can I buy 4-(Phenyl)-5,7-diacetoxycoumarin?
You can request a quote for 4-(Phenyl)-5,7-diacetoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenyl)-5,7-diacetoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenyl)-5,7-diacetoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.