5,7-Diacetoxy-2H-1-benzopyran-2-one
TL;DR: 5,7-Diacetoxy-2H-1-benzopyran-2-one (CAS 21524-17-4) 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.
(5-acetyloxy-2-oxochromen-7-yl) acetate
Also Known As: 5,7-Diacetoxycoumarin, 5.7-Diacetoxy-cumarin, 5,7-Diacetoxy-2H-1-benzopyran-2-one, (5-acetyloxy-2-oxochromen-7-yl) acetate, 2-Oxo-2H-chromene-5,7-diyl diacetate
| Molecular Formula | C13H10O6 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.6436 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.04773 |
| Heavy Atoms | 19 |
| Complexity | 712.6355 |
Chemical Identifiers
| CAS Number | 21524-17-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=CC(=O)O2)C(=C1)OC(=O)C |
Product Overview
5,7-Diacetoxy-2H-1-benzopyran-2-one (CAS 21524-17-4), with molecular formula C13H10O6 and molecular weight 262.05 g/mol. IUPAC: (5-acetyloxy-2-oxochromen-7-yl) acetate.
Chemical Property Profile of 5,7-Diacetoxy-2H-1-benzopyran-2-one
Property Insights of 5,7-Diacetoxy-2H-1-benzopyran-2-one
The XLogP value of 1.6436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Diacetoxy-2H-1-benzopyran-2-one. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Diacetoxy-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 5,7-Diacetoxy-2H-1-benzopyran-2-one 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 5,7-Diacetoxy-2H-1-benzopyran-2-one?
The CAS number of 5,7-Diacetoxy-2H-1-benzopyran-2-one is 21524-17-4.
What is the molecular formula of 5,7-Diacetoxy-2H-1-benzopyran-2-one?
The molecular formula of 5,7-Diacetoxy-2H-1-benzopyran-2-one is C13H10O6.
What is the molecular weight of 5,7-Diacetoxy-2H-1-benzopyran-2-one?
The molecular weight of 5,7-Diacetoxy-2H-1-benzopyran-2-one is 262.05 g/mol.
Where can I buy 5,7-Diacetoxy-2H-1-benzopyran-2-one?
You can request a quote for 5,7-Diacetoxy-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Diacetoxy-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Diacetoxy-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.