CAS RN: 65619-30-9
4-CYANO-4-(3,4-DICHLOROPHENYL)CYCLOHEXANONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65619-30-9
- Purity/Analytical Methods: >99.0%
65619-30-9 / 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile
Basic Information
CAS
65619-30-9
Multi CAS
No
Molecular Formula
C13H11CL2NO
Molecular Weight
268.130000
Exact Mass
267.021769
InChI
InChI=1S/C13H11Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7H,3-6H2
InChIKey
YDVFTCZQEZJUIH-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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