Acetophthalidin
TL;DR: Acetophthalidin (CAS 71089-07-1) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5,7-dihydroxy-3H-2-benzofuran-1-one
Also Known As: Acetophthalidin, 3-acetyl-5,7-dihydroxy-3H-2-benzofuran-1-one, 3-Acetyl-5,7-dihydroxy-1(3H)-isobenzofuranone, 3-acetyl-5,7-dihydroxy-3H-isobenzofuran-1-one, 3-Acetyl-5,7-dihydroxyisobenzofuran-1(3H)-one
| Molecular Formula | C10H8O5 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 0.8983 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03717 |
| Heavy Atoms | 15 |
| Complexity | 463.1257 |
Chemical Identifiers
| CAS Number | 71089-07-1 |
|---|---|
| SMILES | CC(=O)C1C2=C(C(=CC(=C2)O)O)C(=O)O1 |
Product Overview
Acetophthalidin (CAS 71089-07-1), with molecular formula C10H8O5 and molecular weight 208.04 g/mol. IUPAC: 3-acetyl-5,7-dihydroxy-3H-2-benzofuran-1-one.
Chemical Property Profile of Acetophthalidin
Property Insights of Acetophthalidin
The XLogP value of 0.8983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophthalidin. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophthalidin. Following Lipinski's Rule of Five, Acetophthalidin has 2 hydrogen bond donor(s) and 5 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 Acetophthalidin?
The CAS number of Acetophthalidin is 71089-07-1.
What is the molecular formula of Acetophthalidin?
The molecular formula of Acetophthalidin is C10H8O5.
What is the molecular weight of Acetophthalidin?
The molecular weight of Acetophthalidin is 208.04 g/mol.
Where can I buy Acetophthalidin?
You can request a quote for Acetophthalidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophthalidin?
Yes, KEHONG BIO provides custom synthesis services for Acetophthalidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.