Compound Selection

Formula: C15H10O4

MW: 254.24

CAS: 481-74-3

MDL: MFCD00001208

TNP: TNP00557

CHRYSOPHANIC ACID; CHRYSOPHANOL; 3-METHYLCHRYSAZIN; 3-METHYLCHRYSAZINE; 9,10-ANTHRACENEDIONE,1,8-DIHYDROXY-3-METHYL; 1,8-DIHYDROXY-3-METHYL-9,10-ANTHRACENEDIONE; 1,8-DIHYDROXY-3-METHYLANTHRAQUINONE; RHUBARB EXTRACT

LogP: 1.47

LogS: -3.35

Acceptors: 4

Donors: 2

Rotation Bonds: 2

Chiral Centers: 0

N+O: 4

LIPINSKY: 4

Info: Chrysophanic acid 98%

IUPAC: 1,8-dihydroxy-3-methylanthracene-9,10-dione

Smiles: c12C(c3c(O)cccc3C(c1cc(cc2O)C)=O)=O

SOURCE: Occurs in cascara sagrada, senna and various species of Rumex and Rheum

Specification: Anthraquinones, Hydroquinones and Quinones; The group of Polydatin Chrysophanic acid Chemical Properties:

mp 194-198 C Water Solubility <0.1 g/100 mL at 18

Chemical Compounds - Natural Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management