CAS RN: 1228568-74-8
(R)-2-(3-BROMOPHENYL)PIPERIDINE
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.20260424 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1228568-74-8
- Purity/Analytical Methods: >99.0%
1228568-74-8 / (2R)-2-(3-bromophenyl)piperidine
Basic Information
CAS
1228568-74-8
Multi CAS
No
Molecular Formula
C11H14BrN
Molecular Weight
240.140000
Exact Mass
239.030960
SMILES
C1CCN[C@H](C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H14BrN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8,11,13H,1-2,6-7H2/t11-/m1/s1
InChIKey
PIABJNAPJPTVKN-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.74
TPSA
12.03
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
2.9
Consensus LogP
3.01
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 1228569-91-2
- Product Code: starshine_CAS1228569-91-2
- Purity/Analytical method: >99.0%
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