 Home > Encyclopedia > 2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester

2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester

2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester structure

CAS No:
431979-47-4
Formula:
C22H21ClN2O5
Chemical Name:
2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester
Synonyms:
SJ 172550;SJ-172550;SJ172550;MLS006011707;CHEMBL4303491;2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]acetic acid methyl ester;ZINC1145764;STK165480

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2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester Basic Attributes

Molecular Weight：

429

Exact Mass：

428.1139

Characteristics

PSA：

77.4

Appearance：

orange

Density：

1.27±0.1 g/cm3(Predicted)

Water Solubility：

DMSO: ≥30mg/mL

Storage Conditions：

Store at +4°C

Safety Information

wgk germany：

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

SJ 172550

Computed Properties

Molecular Weight:428.9
XLogP3:4.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:428.1138995
Monoisotopic Mass:428.1138995
Topological Polar Surface Area:77.4
Heavy Atom Count:30
Complexity:689
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

2-[2-Chloro-4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-6-ethoxyphenoxy]aceticacidmethylester

SDS

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