CAS RN: 59507-40-3
1-(3-Bromobenzyl)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.20260129 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59507-40-3
- Purity/Analytical Methods: >99.0%
59507-40-3 / 1-[(3-bromophenyl)methyl]piperidine
Basic Information
CAS
59507-40-3
Multi CAS
No
Molecular Formula
BC12H16Rn
Molecular Weight
254.170000
Exact Mass
253.046610
InChI
InChI=1S/C12H16BrN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKey
HQVJFZUPPAXRCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
63.27
TPSA
3.24
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.8
Consensus LogP
3.42
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
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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- CAS RN: 59507-51-6
- Product Code: starshine_CAS59507-51-6
- Purity/Analytical method: >99.0%
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