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LFM-A13

LFM-A13 structure

CAS No:
244240-24-2
Formula:
Br2C11H8N2O2
Chemical Name:
LFM-A13
Synonyms:
α-cyano-β-hydroxy-β-methyl-n-(2,5-dibromophenyl)propenamide;(Z)-2-cyano-N-(2,5-dibroMophenyl)-3-hydroxybut-2-enaMide(LFM-A13);(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;(2Z)-2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide;a-Cyano-b-hydroxy-b-methyl-N-(2,5-dibromophenyl)propenamide;2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide
Categories:
Biochemical Engineering > Inhibitors

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Description

2-cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide is an anilide.

LFM-A13 Basic Attributes

Molecular Weight：

360

Exact Mass：

359.893

Characteristics

PSA：

73.1

XLogP3：

3.8

Appearance：

white powder

Water Solubility：

DMSO: 15 mg/mL

Storage Conditions：

−20°C

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

alpha-cyano-beta-hydroxy-beta-methyl-N-(2,5-dibromophenyl)propenamide

Computed Properties

Molecular Weight:360.00
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:359.89320
Monoisotopic Mass:357.89525
Topological Polar Surface Area:73.1
Heavy Atom Count:17
Complexity:386
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes