Darutigenol
TL;DR: Darutigenol (CAS 5940-00-1) is a chemical compound with molecular formula C20H34O3 and molecular weight 322.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)ethane-1,2-diol
Also Known As: Darutigenol, Darutigenol [M+H]+, Pimar-8(14)-ene-3,15,16-triol, Pimar-8(14)-ene-3,15,16-triol #, 1-(7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)ethane-1,2-diol
| Molecular Formula | C20H34O3 |
|---|---|
| Molecular Weight | 322.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.2508 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 5940-00-1 |
|---|---|
| SMILES | CC1(C2CCC3=CC(CCC3C2(CCC1O)C)(C)C(CO)O)C |
| InChIKey | NCAZLDCEJHFJDT-UHFFFAOYSA-N |
Product Overview
Darutigenol (CAS 5940-00-1), with molecular formula C20H34O3 and molecular weight 322.25 g/mol. IUPAC: 1-(7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl)ethane-1,2-diol.
Chemical Property Profile of Darutigenol
Property Insights of Darutigenol
The XLogP value of 3.2 indicates that Darutigenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Darutigenol. Following Lipinski's Rule of Five, Darutigenol has 3 hydrogen bond donor(s) and 3 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 Darutigenol?
The CAS number of Darutigenol is 5940-00-1.
What is the molecular formula of Darutigenol?
The molecular formula of Darutigenol is C20H34O3.
What is the molecular weight of Darutigenol?
The molecular weight of Darutigenol is 322.25 g/mol.
Where can I buy Darutigenol?
You can request a quote for Darutigenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darutigenol?
Yes, KEHONG BIO provides custom synthesis services for Darutigenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.