CAS RN: 1809152-76-8
4-(4-bromophenyl)piperidine-4-carbonitrile hydrochloride
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.20250501 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1809152-76-8
- Purity/Analytical Methods: >99.0%
1809152-76-8 / 4-(4-bromophenyl)piperidine-4-carbonitrile;hydrochloride
Basic Information
CAS
1809152-76-8
Multi CAS
No
Molecular Formula
C12H14BrClN2
Molecular Weight
301.610000
Exact Mass
300.002890
SMILES
C1CNCCC1(C#N)C2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C12H13BrN2.ClH/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;/h1-4,15H,5-8H2;1H
InChIKey
XYHDGZYWVJYNSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.78
TPSA
35.82
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.02
Consensus LogP
2.9
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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