CAS No.53597-27-6,Fendosal Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53597-27-6
Name:	Fendosal
Article Data:	5

Formula:	C₂₅H₁₉NO₃
Molecular Weight:	381.431
Synonyms:	3H-Benz[e]indole,benzoic acid deriv.;3-(3-Carboxy-4-hydroxyphenyl)-2-phenyl-4,5-dihydro-3H-benz[e]indole;3-(3-Carboxy-4-hydroxyphenyl)-4,5-dihydro-2-phenylbenz[e]indole;5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)salicylic acid;Alnovin;Fendosal;HP 129;NSC 351522;P 71-0129;
Density:	1.29 g/cm³
Melting Point:	223-225oC
Boiling Point:	651.8 °C at 760 mmHg
Flash Point:	348 °C
PSA:	62.46000
LogP:	5.31370

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Specification

The Fendosal, with the CAS registry number 53597-27-6, is also known as 5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)salicylic acid. This chemical's molecular formula is C₂₅H₁₉NO₃ and molecular weight is 381.43. Its IUPAC name is called 2-Hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid. This chemical's classification codes are Anti-inflammatory; Drug / Therapeutic Agent. It can be used in the manufacture of pesticides, pharmaceuticals and other chemical products.

Physical properties of Fendosal: (1)ACD/LogP: 7.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 233.72; (6)ACD/BCF (pH 7.4): 210.1; (7)ACD/KOC (pH 5.5): 226.56; (8)ACD/KOC (pH 7.4): 203.66; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.68; (13)Molar Refractivity: 111.53 cm³; (14)Molar Volume: 294.8 cm³; (15)Surface Tension: 53.3 dyne/cm; (16)Density: 1.29 g/cm³; (17)Flash Point: 348 °C; (18)Enthalpy of Vaporization: 100.92 kJ/mol; (19)Boiling Point: 651.8 °C at 760 mmHg; (20)Vapour Pressure: 7.08E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1O)n5c3c(c2c(cccc2)CC3)cc5c4ccccc4
(2)InChI: InChI=1/C25H19NO3/c27-24-13-11-18(14-21(24)25(28)29)26-22-12-10-16-6-4-5-9-19(16)20(22)15-23(26)17-7-2-1-3-8-17/h1-9,11,13-15,27H,10,12H2,(H,28,29)
(3)InChIKey: HAWWPSYXSLJRBO-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	510mg/kg (510mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Agents and Actions, A Swiss Journal of Pharmacology. Vol. 8, Pg. 209, 1978.
mouse	LD50	oral	740mg/kg (740mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Agents and Actions, A Swiss Journal of Pharmacology. Vol. 8, Pg. 209, 1978.
rabbit	LD50	oral	560mg/kg (560mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Agents and Actions, A Swiss Journal of Pharmacology. Vol. 8, Pg. 209, 1978.
rat	LD50	oral	450mg/kg (450mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Agents and Actions, A Swiss Journal of Pharmacology. Vol. 8, Pg. 209, 1978.