Daphnetin diacetate
TL;DR: Daphnetin diacetate (CAS 21784-71-4) is a chemical compound with molecular formula C13H10O6 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-2-oxochromen-7-yl) acetate
Also Known As: DAPHNETIN DIACETATE, 7.8-Diacetoxy-cumarin, (8-acetyloxy-2-oxochromen-7-yl) acetate, (8-acetoxy-2-oxo-chromen-7-yl) acetate, NCI60_002533
| Molecular Formula | C13H10O6 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.04773 |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 21784-71-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=C1)C=CC(=O)O2)OC(=O)C |
| InChIKey | PXWILQNNCIKVND-UHFFFAOYSA-N |
Product Overview
Daphnetin diacetate (CAS 21784-71-4), with molecular formula C13H10O6 and molecular weight 262.05 g/mol. IUPAC: (8-acetyloxy-2-oxochromen-7-yl) acetate.
Chemical Property Profile of Daphnetin diacetate
Property Insights of Daphnetin diacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daphnetin diacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Daphnetin diacetate. Following Lipinski's Rule of Five, Daphnetin diacetate 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 Daphnetin diacetate?
The CAS number of Daphnetin diacetate is 21784-71-4.
What is the molecular formula of Daphnetin diacetate?
The molecular formula of Daphnetin diacetate is C13H10O6.
What is the molecular weight of Daphnetin diacetate?
The molecular weight of Daphnetin diacetate is 262.05 g/mol.
Where can I buy Daphnetin diacetate?
You can request a quote for Daphnetin diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnetin diacetate?
Yes, KEHONG BIO provides custom synthesis services for Daphnetin diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.