5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID Chemical Properties

Melting point:

192 °C

Boiling point:

531.1±35.0 °C(Predicted)

Density 

1.342±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

4.37±0.30(Predicted)

Appearance

Light brown to yellow Solid

BRN 

241643

InChI

InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)

InChIKey

MVCLSAMNMAWXFQ-UHFFFAOYSA-N

SMILES

N1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1C(O)=O

CAS DataBase Reference

6640-09-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

HS Code 

2933998090

MSDS

• Language:English Provider:ALFA

5-BENZYLOXYINDOLE-2-CARBOXYLIC ACID Usage And Synthesis

Uses

5-(Benzyloxy)-1H-indole-2-carboxylic Acid is a potent type-2 specific inhibitor of human steroid 5α-reductase.

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