Compound Selection

Formula: C12H8O4

MW: 216.19

CAS: 298-81-7

MDL: MFCD00005009

TNP: TNP00455

2-g)(1)benzopyran-7-one,9-methoxy-7h-furo(; 2-g][1]benzopyran-7-one,9-methoxy-7h-furo[; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; 5-Benzofuranacrylicacid,6-hydroxy-7-methoxy-,d-lactone; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid gamma-l

LogP: -0.6

LogS: -2.3

Acceptors: 4

Donors: 0

Rotation Bonds: 1

Chiral Centers: 0

N+O: 4

LIPINSKY: 4

Info: 8-Methoxypsoralen 99% 8-Methoxypsoralen (8-MOP) is a natural plant biosynthetic metabolite found in produce

IUPAC: 9-methoxyfurano[3,2-g]chromen-2-one

Smiles: c12c(c3occc3cc2ccc(o1)=O)OC

Specification: Intermediates & Fine Chemicals; Pharmaceuticals; Cytochrome P450 isozyme 8-Methoxypsoralen Chemical Properties:

mp 148-150 C(lit.) Water Solubility PRACTICALLY INSOLUBLE Merck 14,5988 BRN 196453 CAS DataBase Reference298-81-7(CAS DataBase Reference) NIST Chemistry ReferenceMethoxsalen(298-81-7) EPA Substance Registry System7H-Furo[3,2-g][1] benzopyran-7-one, 9-methoxy-(298-81-7) Safety Information Hazard Codes Xn,T Risk Statements 22-43-46-45-34 Safety Statements 36/37-53-45-36/37/39-26 RIDADR 3216 WGK Germany 3 RTECS LV1400000 F 10 Hazardous Substances Data298-81-7(Hazardous Substances Data) Methoxsalen English 8-Methoxypsoralen Usage And Synthesis Chemical Properties:

Crystalline Solid UsageNaturally occurring analog of psoralen. Use in treatment of psoriasis and mycosis fungoides General DescriptionOdorless white to cream-colored crystalline solid. Bitter taste followed by tingling sensation. Air & Water ReactionsSensitive to light and air. Insoluble in water. Reactivity Profile8-Methoxypsoralen is incompatible with strong oxidizing agents. Fire HazardFlash point data for 8-Methoxypsoralen are not available; however, 8-Methoxypsoralen is probably combustible. 8-Methoxypsoralen

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

Toll Free 800-574-7391
Phone: 302-292-8500
Fax: 302-292-8520

Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
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