CUDC-101 supplier | CasNO.1012054-59-9

Name
CUDC-101
EINECS
CAS No. 1012054-59-9
Article Data4
CAS DataBase
Density 1.288 g/cm³
Solubility
Melting Point 174-177 °C
Formula C₂₄H₂₆N₄O₄
Boiling Point
Molecular Weight 434.495
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide;
PSA 109.09000
LogP 5.11130

CUDC-101 Specification

The 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide, with the CAS registry number 1012054-59-9, is also known as CUDC-101. This chemical's molecular formula is C₂₄H₂₆N₄O₄ and molecular weight is 434.49. Its systematic name is called 7-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxyheptanehydroxamic acid.

Physical properties of 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.377; (4)ACD/LogD (pH 7.4): 4.727; (5)ACD/BCF (pH 5.5): 1022.15; (6)ACD/BCF (pH 7.4): 2291.725; (7)ACD/KOC (pH 5.5): 3918.334; (8)ACD/KOC (pH 7.4): 8785.15; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.638; (13)Molar Refractivity: 121.147 cm³; (14)Molar Volume: 337.214 cm³; (15)Surface Tension: 67.786 dyne/cm; (16)Density: 1.288 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2c(cc1OCCCCCCC(=O)NO)c(ncn2)Nc3cccc(c3)C#C
(2)InChI: InChI=1/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
(3)InChIKey: PLIVFNIUGLLCEK-UHFFFAOYAU

Product Name

CUDC-101

CUDC-101 Specification

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