CAS No.25126-32-3,Sincalide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25126-32-3
Name:	Sincalide
Article Data:	3

Formula:	C₄₉H₆₂N₁₀O₁₆S₃
Molecular Weight:	1143.29
Synonyms:	Caerulein,1-de(5-oxo-L-proline)-2-de-L-glutamine-5-L-methionine- (8CI);Cholecystokinin-8(pig);Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2;Cholecystokinin C-terminaloctapeptide;Cholecystokinin octapeptide (26-33 sulfated);Cholecystokinin-(26-33)-amide;Cholecystokinin-8 (Squalus acanthias);Cholecystokinin-8 (chicken);Cholecystokinin-pancreozymin (swine intestineC-terminal octapeptide);Cholecystokinin-pancreozymin C-terminal octapeptide;Human CCK-8;L-Phenylalaninamide, L-a-aspartyl-O-sulfo-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-a-aspartyl-;SQ 19844;
EINECS:	246-639-0
Density:	1.441 g/cm³
Solubility:	0.05 M ammonium hydroxide: 1 mg/mL, clear, colorless
Safety:	22-24/25
PSA:	485.78000
LogP:	3.88830

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Specification

The Sincalide, with the CAS registry number 25126-32-3 and EINECS registry number 246-639-0, has the systematic name of L-α-aspartyl-O-sulfo-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide. It belongs to the following product categories: Peptide; Cholecystokinin (CCK) receptor; Peptide Receptors. And the molecular formula of the chemical is C₄₉H₆₂N₁₀O₁₆S₃. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Sincalide are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 26; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 34; (12)Polar Surface Area: 485.78 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 286.962 cm³; (15)Molar Volume: 793.659 cm³; (16)Polarizability: 113.761×10^-24cm³; (17)Surface Tension: 70.957 dyne/cm; (18)Density: 1.441 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)Oc1ccc(cc1)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc2ccccc2)CC(=O)O)CCSC)Cc4c3ccccc3nc4)CCSC
(2)InChI: InChI=1/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
(3)InChIKey: IZTQOLKUZKXIRV-YRVFCXMDBI