Usnic acid derivative
TL;DR: Usnic acid derivative (CAS 5209-53-0) is a chemical compound with molecular formula C24H22O7S and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one
Also Known As: Usnic acid derivative, USNIC ACID, THIOPHENYL ADDUCT, USNIC ACID,4A-DIHYDRO-4A(PHENYLTHIO)-,RACEMATE, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one, 2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-(phenylsulfanyl)-4a,9b-dihydrodibenzo[b,d]furan-3(4H)-one
| Molecular Formula | C24H22O7S |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.1086 |
| Heavy Atoms | 32 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 5209-53-0 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1O)C3(C(=C(C(=O)CC3(O2)SC4=CC=CC=C4)C(=O)C)O)C)C(=O)C)O |
| InChIKey | LSOAAVNSTUDKDD-UHFFFAOYSA-N |
Product Overview
Usnic acid derivative (CAS 5209-53-0), with molecular formula C24H22O7S and molecular weight 454.11 g/mol. IUPAC: 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one.
Chemical Property Profile of Usnic acid derivative
Property Insights of Usnic acid derivative
The XLogP value of 4.2 indicates that Usnic acid derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Usnic acid derivative may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Usnic acid derivative has 3 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 derivative?
The CAS number of Usnic acid derivative is 5209-53-0.
What is the molecular formula of Usnic acid derivative?
The molecular formula of Usnic acid derivative is C24H22O7S.
What is the molecular weight of Usnic acid derivative?
The molecular weight of Usnic acid derivative is 454.11 g/mol.
Where can I buy Usnic acid derivative?
You can request a quote for Usnic acid derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Usnic acid derivative?
Yes, KEHONG BIO provides custom synthesis services for Usnic acid derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.