![CAS 916204-05-2 4-[4-(4′-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/916204-05-2.png)
CAS RN: 916204-05-2
4-[4-(4′-Chlorobiphenyl-2-ylmethyl)piperazin-1-yl]benzoic Acid
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.20260317 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC927152
916204-05-2 / 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
Basic Information
CAS
916204-05-2
Multi CAS
No
Molecular Formula
C24H23CLN2O2
Molecular Weight
406.900000
Exact Mass
406.144806
InChI
InChI=1S/C24H23ClN2O2/c25-21-9-5-18(6-10-21)23-4-2-1-3-20(23)17-26-13-15-27(16-14-26)22-11-7-19(8-12-22)24(28)29/h1-12H,13-17H2,(H,28,29)
InChIKey
FSHGEKXJPYDBSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.78
TPSA
43.78
LogP / Solubility
WLOGP
5.03
MLOGP
4.45
XLogP3
2.9
Consensus LogP
4.13
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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