CAS RN: 139474-25-2
4-(4-BROMO-PHENYL)-1-METHYL-PIPERIDIN-4-OL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250720 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS139474-25-2
- Purity/Analytical Methods: >99.0%
139474-25-2 / 4-(4-bromophenyl)-1-methylpiperidin-4-ol
Basic Information
CAS
139474-25-2
Multi CAS
No
Molecular Formula
C12H16BrNO
Molecular Weight
270.170000
Exact Mass
269.041530
SMILES
CN1CCC(CC1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C12H16BrNO/c1-14-8-6-12(15,7-9-14)10-2-4-11(13)5-3-10/h2-5,15H,6-9H2,1H3
InChIKey
GQPLQVMAOCKIHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.77
TPSA
23.47
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.1
Consensus LogP
2.18
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
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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