CAS No.5545-17-5,(AC-CYS-OH)2 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5545-17-5
Name:	(AC-CYS-OH)2
Article Data:	52

Formula:	C₁₀H₁₆N₂O₆S₂
Molecular Weight:	324.379
Synonyms:	Cystine,N,N'-diacetyl- (6CI,7CI);Cystine, N,N'-diacetyl-, L- (8CI);N,N'-Diacetyl-L-cystine;N,N'-Diacetylcystine;NSC 203780;cystine, N,N'-diacetyl-;
EINECS:	226-911-5
Density:	1.451 g/cm³
Melting Point:	55-72 °C
Boiling Point:	715.5 °C at 760 mmHg
Flash Point:	386.5 °C
Appearance:	White Powder
PSA:	183.40000
LogP:	0.32820

Synthetic route

: 616-91-1
N-acetylcystein

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
With bis(4-methoxyphenyl)telluride; 5,15,10,20-tetraphenylporphyrin In dichloromethane; isopropyl alcohol at 0℃; for 0.25h; Irradiation;	100%
With (bis(2,1-phenylene)bis(azanediyl)bis(methylene)diphenol)diselenide In water; acetonitrile at 20℃; for 7h;	83%
With (+)-flavinophane Fl(7) In methanol; water at 30℃; Rate constant; pH 9.55; other (+)- and (-)-flavinophanes and 5-deazaflavinophanes; asymmetric discrimination;

: 52-90-4
L-Cysteine

: 108-24-7
acetic anhydride

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
With sodium hydroxide for 0.5h; Ambient temperature;	22%

: 32381-28-5
N,N'-diacetyl-L-cystine dimethyl ester

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
durch Verseifung;

: 1033249-05-6
N,N'-diacetyl-L-cystine dipropyl ester

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
durch Verseifung;

: 56-89-3
L-cystine

: 108-24-7
acetic anhydride

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
With sodium hydroxide
With potassium hydroxide

: 616-91-1
N-acetylcystein

A: 5545-17-5
N,N'-diacetyl-L-cystine

B: 56577-02-7
S-nitroso-N-acetylcysteine

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite at 25℃;	A n/a B 82 % Chromat.

: 616-91-1
N-acetylcystein

A: 5545-17-5
N,N'-diacetyl-L-cystine

B: (R)-2-Acetylamino-3-((R)-2-acetylamino-2-carboxy-ethylsulfanyl)-propionic acid

Conditions

Conditions	Yield
With water Quantum yield; Mechanism; γ-radiation (radiolysis); also with NaN3;

: 616-91-1
N-acetylcystein

: 56577-02-7
S-nitroso-N-acetylcysteine

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
In water at 25℃; Rate constant; also in the presence of var. conc. of EDTA;

N.N'-diacetyl-DL-cystine: N.N'-diacetyl-DL-cystine

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
With brucine durch Zerlegung;

: 56577-02-7
S-nitroso-N-acetylcysteine

: 5545-17-5
N,N'-diacetyl-L-cystine

Conditions

Conditions	Yield
In water at 25℃; for 19.6667h; Quantum yield; Kinetics; Further Variations:; Solvents; also in the dark; Dimerization; UV-irradiation;
With ethylenediaminetetraacetic acid; hydroxide In water Kinetics; Further Variations:; pH dependence; Radiolysis;
With sodium hydrogen sulfide In water Acidic conditions;
With Cu2O

Total:29 Page 1 of 1 1

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Specification

The L-Cystine,N,N'-diacetyl-, with the CAS registry number 5545-17-5 and EINECS registry number 226-911-5, has the systematic name of N,N'-diacetylcystine. It is a kind of white powder, and belongs to the following product categories: Amino Acids & Derivatives; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of the chemical is C₁₀H₁₆N₂O₆S₂. What's more, it always used in the treatment for dermal imflammations caused by leukotriene production.

The characteristics of L-Cystine,N,N'-diacetyl- are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.16; (4)ACD/LogD (pH 7.4): -4.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 143.82 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 74.66 cm³; (15)Molar Volume: 223.4 cm³; (16)Polarizability: 29.6×10^-24cm³; (17)Surface Tension: 65.5 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 386.5 °C; (20)Enthalpy of Vaporization: 113.88 kJ/mol; (21)Boiling Point: 715.5 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-22 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it also irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC(C(=O)O)CSSCC(C(=O)O)NC(=O)C)C
(2)InChI: InChI=1/C10H16N2O6S2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
(3)InChIKey: YTPQSLLEROSACP-UHFFFAOYAF