A-740003 supplier | CasNO.861393-28-4

Name
A-740003
EINECS
CAS No. 861393-28-4
Article Data2
CAS DataBase
Density 1.19g/cm³
Solubility
Melting Point 128-129 °C
Formula C₂₆H₃₀N₆O₃
Boiling Point
Molecular Weight 474.563
Flash Point
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Benzeneacetamide,N-[1-[[(cyanoamino)(5-quinolinylamino)methylene]amino]-2,2-dimethylpropyl]-3,4-dimethoxy-(9CI);A 740003;
PSA 120.66000
LogP 4.67648

A-740003 Specification

The N-[1-[[(Cyanoamino)(5-quinolinylimino)methyl]amino]-2,2-dimethylpropyl]-3,4-dimethoxybenzeneacetamide
with cas registry number of 861393-28-4, its systematic name is N-(1-{[(E)-(cyanoamino)(quinolin-5-ylamino)methylidene]amino}-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide.

Physical properties about this chemical are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 59.47; (6)ACD/BCF (pH 7.4): 74.82; (7)ACD/KOC (pH 5.5): 606.63; (8)ACD/KOC (pH 7.4): 763.15; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 94.29 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 135.15 cm³; (15)Molar Volume: 396.7 cm³; (16)Polarizability: 53.57×10^-24cm³; (17)Surface Tension: 43.8 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES:N#CN/C(=N/C(NC(=O)Cc1ccc(OC)c(OC)c1)C(C)(C)C)Nc2cccc3ncccc23;
(2)InChI:InChI=1/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32);
(3)InChIKey:PUHSRMSFDASMAE-UHFFFAOYAK;
(4)Std. InChI:InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32);
(5)Std. InChIKey:PUHSRMSFDASMAE-UHFFFAOYSA-N.

Product Name

A-740003

A-740003 Specification

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