Methyl 5-Hydroxyindole-3-acetate - CAS 15478-18-9

Name: Methyl 5-Hydroxyindole-3-acetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011054
Product Name:	Methyl 5-Hydroxyindole-3-acetate
CAS:	15478-18-9
Synonyms:	2-(5-hydroxy-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(5-hydroxy-1H-indol-3-yl)acetate

Technical Data

IUPAC Name:	methyl 2-(5-hydroxy-1H-indol-3-yl)acetate
Description:	Methyl 5-Hydroxyindole-3-acetate (CAS# 15478-18-9) is an intermediate in the synthesis of 5-Hydroxyindole-3-acetic Acid-D5 (H953609). 5-Hydroxyindole-3-acetic Acid-D5 is a labelled analogue of 5-Hydroxyindole-3-acetic Acid (H953605). 5-Hydroxyindole-3-acetic Acid is an impurity of Chlorpheniramine (C424300), a histamine H1 receptor antagonist that is used to treat allergy symptoms..
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	COC(=O)CC1=CNC2=C1C=C(C=C2)O
InChI:	InChI=1S/C11H11NO3/c1-15-11(14)4-7-6-12-10-3-2-8(13)5-9(7)10/h2-3,5-6,12-13H,4H2,1H3
InChI Key:	ICPIRXLDEXTULL-UHFFFAOYSA-N
LogP:	1.58900

Publication Number	Title	Priority Date
KR-20200026120-A	A substituted indole derivatives, preparation method therof and pharmaceutical composition for use in preventing or treating PPARÎ±, PPARÎ³ and PPARÎ´ related diseases containing the same as an active ingredient	20180829
WO-2020045982-A1	SUBSTITUTED INDOLE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PPARÎ±, PPARÎ³, AND PPARÎ´	20180829
KR-102242658-B1	A substituted indole derivatives, preparation method therof and pharmaceutical composition for use in preventing or treating PPARÎ±, PPARÎ³ and PPARÎ´ related diseases containing the same as an active ingredient	20180829
WO-2019235455-A1	Enhancer of fertilization function of sperm	20180605
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Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07389321
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7