CAS No.68672-66-2,(Z)-2-(tert-Butoxycarbonylprop-2-oxyimino)-2-(2-tritylaminothiazol-4-yl)acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68672-66-2
Name:	(Z)-2-(tert-Butoxycarbonylprop-2-oxyimino)-2-(2-tritylaminothiazol-4-yl)acetic acid
Article Data:	6

Formula:	C₃₂H₃₃N₃O₅S
Molecular Weight:	571.697
Synonyms:	4-Thiazoleaceticacid, a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-,(Z)-;
EINECS:	272-056-6
Density:	1.19 g/cm³
Melting Point:	168-169 °C
Boiling Point:	707.5 °C at 760 mmHg
Flash Point:	381.7 °C
Solubility:	3.44μg/L at 20℃
Appearance:	White to off white crystalline powder
PSA:	138.35000
LogP:	6.54570

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Specification

The (Z)-2-(2-Tritylaminothiazol-4-yl)-2-(2-tert-butoxycarbonylprop-2-oxyimino)acetic acid with cas registry number of 68672-66-2, has the systematic name of (2Z)-[(2-tert-butoxy-1,1-dimethyl-2-oxoethoxy)imino][2-(tritylamino)-1,3-thiazol-4-yl]ethanoic acid. And it is also named (Z)-2-(Tert-butoxycarbonylprop.

Physical properties about this chemical are: (1)ACD/LogP: 7.54; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 55; (6)ACD/BCF (pH 7.4): 51; (7)ACD/KOC (pH 5.5): 54; (8)ACD/KOC (pH 7.4): 50; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 138.35 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 162.813 cm³; (15)Molar Volume: 477.998 cm³; (16)Polarizability: 64.544×10^-24cm³; (17)Surface Tension: 45.564 dyne/cm; (18)Enthalpy of Vaporization: 108.664 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C(O\N=C(\c1nc(sc1)NC(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)O)(C)C;
(2)InChI: InChI=1/C32H33N3O5S/c1-30(2,3)39-28(38)31(4,5)40-35-26(27(36)37)25-21-41-29(33-25)34-32(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3,(H,33,34)(H,36,37)/b35-26-;
(3)InChIKey: RACSQPAUTPPMLG-JYUHDHNABB;
(4)Std. InChI: InChI=1S/C32H33N3O5S/c1-30(2,3)39-28(38)31(4,5)40-35-26(27(36)37)25-21-41-29(33-25)34-32(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3,(H,33,34)(H,36,37)/b35-26-;
(5)Std. InChIKey: RACSQPAUTPPMLG-JYUHDHNASA-N