Cinepazide supplier | CasNO.23887-46-9

Name
Cinepazide
EINECS 245-928-9
CAS No. 23887-46-9
Article Data3
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 170 - 175oC
Formula C₂₂H₃₁N₃O₅
Boiling Point 637.8 °C at 760 mmHg
Molecular Weight 417.505
Flash Point 339.5 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazine,1-[(1-pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)- (8CI);Piperazine,1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-(9CI);
PSA 71.55000
LogP 1.30590

Cinepazide Specification

The Cinepazide, with CAS registry number 23887-46-9, has the systematic name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazine. And its IUPAC name is 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one. And its classification code is Drug / Therapeutic Agent. What's more, its EINECS is 245-928-9.

Physical properties of Cinepazide: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.24; (6)ACD/BCF (pH 7.4): 10.46; (7)ACD/KOC (pH 5.5): 182.93; (8)ACD/KOC (pH 7.4): 186.85; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 71.55 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 114.87 cm³; (15)Molar Volume: 347.7 cm³; (16)Polarizability: 45.54×10^-24cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Enthalpy of Vaporization: 94.2 kJ/mol; (19)Vapour Pressure: 3.65E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCC1)CN3CCN(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)CC3
(2)InChI: InChI=1/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+
(3)InChIKey: RCUDFXMNPQNBDU-VOTSOKGWBJ
(4)Std. InChI: InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+
(5)Std. InChIKey: RCUDFXMNPQNBDU-VOTSOKGWSA-N

Product Name

Cinepazide

Cinepazide Specification

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