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CAS 65619-31-0 4-CYANO-4-(2,4-DICHLOROPHENYL)CYCLOHEXANONE molecular structure lightbox
CAS RN: 65619-31-0

4-CYANO-4-(2,4-DICHLOROPHENYL)CYCLOHEXANONE

  • Product code: SSC-175258
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 65619-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

65619-31-0 / 1-(2,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile

Standard CAS: 65619-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65619-31-0
Multi CAS
No
Molecular Formula
C13H11CL2NO
Molecular Weight
268.130000
Exact Mass
267.021769
InChI
InChI=1S/C13H11Cl2NO/c14-9-1-2-11(12(15)7-9)13(8-16)5-3-10(17)4-6-13/h1-2,7H,3-6H2
InChIKey
OUKRPSQXZBCMEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.23
TPSA
40.86

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
2.9
Consensus LogP
3.41
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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