-
Name
SCRIPTAID
- EINECS
- CAS No. 287383-59-9
- Article Data3
- CAS DataBase
- Density 1.338 g/cm3
- Solubility
- Melting Point 160-161℃
- Formula C18H18N2O4
- Boiling Point
- Molecular Weight 326.352
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms GCK 1026;Scriptaid;Scriptide;
- PSA 88.40000
- LogP 2.40940
1H-Benz[de]isoquinoline-2(3H)-hexanamide,N-hydroxy-1,3-dioxo- Specification
The CAS register number of 1H-Benz[de]isoquinoline-2(3H)-hexanamide,N-hydroxy-1,3-dioxo- is 287383-59-9. It also can be called as Scriptide and the systematic name about this chemical is 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-hydroxyhexanamide. The molecular formula about this chemical is C18H18N2O4 and the molecular weight is 326.34652. The storage temperature of this chemical is -20 °C and it is novel histone deacetylase inhibitor.
Physical properties about 1H-Benz[de]isoquinoline-2(3H)-hexanamide,N-hydroxy-1,3-dioxo- are: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1.26; (5)ACD/BCF (pH 7.4): 1.25; (6)ACD/KOC (pH 5.5): 41; (7)ACD/KOC (pH 7.4): 40.66; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 66.92 Å2; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 88.5 cm3; (14)Molar Volume: 243.7 cm3; (15)Polarizability: 35.08x10-24cm3; (16)Surface Tension: 62.3 dyne/cm; (17)Density: 1.338 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c3c(ccc1)cccc3C(=O)N2CCCCCC(=O)NO
(2)InChI: InChI=1/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
(3)InChIKey: JTDYUFSDZATMKU-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
(5)Std. InChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-N
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