![CAS 67987-08-0 HALOPERIDOL RELATED COMPOUND A (15 MG) (4,4′-BIS[(4-P-CHLOROPHENYL)-4-HYDROXY-PIPERIDINO]-BU-TYROPHENONE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67987-08-0.gif)
CAS RN: 67987-08-0
HALOPERIDOL RELATED COMPOUND A (15 MG) (4,4′-BIS[(4-P-CHLOROPHENYL)-4-HYDROXY-PIPERIDINO]-BU-TYROPHENONE)
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.20250414 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS67987-08-0
- Purity/Analytical Methods: >99.0%
67987-08-0 / 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]butan-1-one
Basic Information
CAS
67987-08-0
Multi CAS
No
Molecular Formula
C32H36CL2N2O3
Molecular Weight
567.500000
Exact Mass
566.210298
InChI
InChI=1S/C32H36Cl2N2O3/c33-27-9-5-25(6-10-27)31(38)15-20-35(21-16-31)19-1-2-30(37)24-3-13-29(14-4-24)36-22-17-32(39,18-23-36)26-7-11-28(34)12-8-26/h3-14,38-39H,1-2,15-23H2
InChIKey
KZKALOHEEHRXFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
157.83
TPSA
64.01
LogP / Solubility
WLOGP
6.43
MLOGP
5.7
XLogP3
5
Consensus LogP
5.71
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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