Usnic acid monoacetate
TL;DR: Usnic acid monoacetate (CAS 52941-92-1) is a chemical compound with molecular formula C20H18O8 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxodibenzofuran-1-yl) acetate
Also Known As: Usnic acid monoacetate, 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-9-(acetyloxy)-7-hydroxy-8,9b-dimethyl-, (4,8-diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxodibenzofuran-1-yl) acetate, 2,6-Diacetyl-9-acetyloxy-7-hydroxy-8,9b-dimethyl-1,3 -dibenzofurandione, 2,6-Diacetyl-9-acetyloxy-7-hydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione
| Molecular Formula | C20H18O8 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.10016 |
| Heavy Atoms | 28 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 52941-92-1 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1OC(=O)C)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O |
| InChIKey | QVYCICCBAHCCLI-UHFFFAOYSA-N |
Product Overview
Usnic acid monoacetate (CAS 52941-92-1), with molecular formula C20H18O8 and molecular weight 386.10 g/mol. IUPAC: (4,8-diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxodibenzofuran-1-yl) acetate.
Chemical Property Profile of Usnic acid monoacetate
Property Insights of Usnic acid monoacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Usnic acid monoacetate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Usnic acid monoacetate. Following Lipinski's Rule of Five, Usnic acid monoacetate has 1 hydrogen bond donor(s) and 8 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 Usnic acid monoacetate?
The CAS number of Usnic acid monoacetate is 52941-92-1.
What is the molecular formula of Usnic acid monoacetate?
The molecular formula of Usnic acid monoacetate is C20H18O8.
What is the molecular weight of Usnic acid monoacetate?
The molecular weight of Usnic acid monoacetate is 386.10 g/mol.
Where can I buy Usnic acid monoacetate?
You can request a quote for Usnic acid monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Usnic acid monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Usnic acid monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.