Danshenol A
TL;DR: Danshenol A (CAS 189308-08-5) is a chemical compound with molecular formula C21H20O4 and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
Also Known As: Danshenol A, (1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one, Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-, Phenanthro[1,2-b]furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-, Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R-trans)-
| Molecular Formula | C21H20O4 |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 3.27502 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.13617 |
| Heavy Atoms | 25 |
| Complexity | 969.265 |
Chemical Identifiers
| CAS Number | 189308-08-5 |
|---|---|
| SMILES | C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
Product Overview
Danshenol A (CAS 189308-08-5), with molecular formula C21H20O4 and molecular weight 336.14 g/mol. IUPAC: (1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one.
Chemical Property Profile of Danshenol A
Property Insights of Danshenol A
The XLogP value of 3.27502 indicates that Danshenol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Danshenol A. Following Lipinski's Rule of Five, Danshenol A has 1 hydrogen bond donor(s) and 4 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 Danshenol A?
The CAS number of Danshenol A is 189308-08-5.
What is the molecular formula of Danshenol A?
The molecular formula of Danshenol A is C21H20O4.
What is the molecular weight of Danshenol A?
The molecular weight of Danshenol A is 336.14 g/mol.
Where can I buy Danshenol A?
You can request a quote for Danshenol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danshenol A?
Yes, KEHONG BIO provides custom synthesis services for Danshenol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.