3-Ethylisoxazole-4-carboxylic Acid - CAS 639523-12-9

Name: 3-Ethylisoxazole-4-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032333
Product Name:	3-Ethylisoxazole-4-carboxylic Acid
CAS:	639523-12-9
Synonyms:	3-ethyl-4-isoxazolecarboxylic acid; 3-ethyl-1,2-oxazole-4-carboxylic acid

Technical Data

IUPAC Name:	3-ethyl-1,2-oxazole-4-carboxylic acid
Description:	3-Ethylisoxazole-4-carboxylic Acid (CAS# 639523-12-9) is a useful reagent in the preparation of substituted spirocyclic 2-oxoindoline derivatives which are potent modulators of human IL-17 activity; beneficial in the treatment/prevention of various human ailments, including inflammatory and autoimmune disorders.
Molecular Weight:	141.12
Molecular Formula:	C6H7NO3
Canonical SMILES:	CCC1=NOC=C1C(=O)O
InChI:	InChI=1S/C6H7NO3/c1-2-5-4(6(8)9)3-10-7-5/h3H,2H2,1H3,(H,8,9)
InChI Key:	GWXJFENAVVNMTA-UHFFFAOYSA-N
LogP:	0.93520

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020146194-A1	Imidazo[1,2-b]pyridazine il-17a inhibitors	20190107
TW-202039505-A	Il-17a inhibitors	20190107
KR-20210100143-A	Imidazo[1,2-B]pyridazine IL-17A inhibitor	20190107
WO-2020120141-A1	Functionalised amine derivatives as il-17 modulators	20181211
CN-113260418-A	Functionalized amine derivatives as IL-17 modulators	20181211

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.042593085
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7