CAS No.88191-84-8,CALPAIN INHIBITOR III Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	88191-84-8
Name:	CALPAIN INHIBITOR III

Formula:	C₂₂H₂₆N₂O₄
Molecular Weight:	382.459
Synonyms:	Carbamicacid, [(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-,phenylmethyl ester (9CI);Calp III;Calpain Inhibitor III;MDL 28170;
EINECS:	618-124-4
Density:	1.153 g/cm³
Boiling Point:	595.6 °C at 760 mmHg
Flash Point:	314 °C
Safety:	22-24/25
PSA:	84.50000
LogP:	3.64560

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Specification

This chemical is called Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester, and it can also be named as MDL 28170. With the molecular formula of C₂₂H₂₆N₂O₄, its molecular weight is 382.45. The CAS registry number of this chemical is 88191-84-8. Additionally, this chemical is white lyophilized solid. It should be stored at the temperature of 2-8 °C.

Other characteristics of the Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester can be summarised as followings: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 847.97; (6)ACD/BCF (pH 7.4): 847.61; (7)ACD/KOC (pH 5.5): 4342.46; (8)ACD/KOC (pH 7.4): 4340.59; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 66.92 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 106.4 cm³; (15)Molar Volume: 331.6 cm³; (16)Polarizability: 42.18×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 314 °C; (20)Enthalpy of Vaporization: 88.75 kJ/mol; (21)Boiling Point: 595.6 °C at 760 mmHg; (22)Vapour Pressure: 3.74E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc2ccccc2
2.InChI: InChI=1/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
3.InChIKey: NGBKFLTYGSREKK-PMACEKPBBL