Dan-shen root extract
TL;DR: Dan-shen root extract (CAS 79483-68-4) is a chemical compound with molecular formula C36H28O6 and molecular weight 556.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione;1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Also Known As: dan-shen root extract, Danshen extract, danshen root extract, Dan-shen, DanshenRootExtract
| Molecular Formula | C36H28O6 |
|---|---|
| Molecular Weight | 556.19 g/mol |
| LogP | 7.97 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 556.1886 |
| Heavy Atoms | 42 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 79483-68-4 |
|---|---|
| SMILES | CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C.CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C |
| InChIKey | WTPPRJKFRFIQKT-UHFFFAOYSA-N |
Product Overview
Dan-shen root extract (CAS 79483-68-4), with molecular formula C36H28O6 and molecular weight 556.19 g/mol. IUPAC: 1,6-dimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione;1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.
Chemical Property Profile of Dan-shen root extract
Property Insights of Dan-shen root extract
The XLogP value of 7.97 indicates that Dan-shen root extract is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dan-shen root extract. Following Lipinski's Rule of Five, Dan-shen root extract has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dan-shen root extract?
The CAS number of Dan-shen root extract is 79483-68-4.
What is the molecular formula of Dan-shen root extract?
The molecular formula of Dan-shen root extract is C36H28O6.
What is the molecular weight of Dan-shen root extract?
The molecular weight of Dan-shen root extract is 556.19 g/mol.
Where can I buy Dan-shen root extract?
You can request a quote for Dan-shen root extract directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dan-shen root extract?
Yes, KEHONG BIO provides custom synthesis services for Dan-shen root extract and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.