CAS RN: 1241725-63-2
4-(4-BroMophenyl)piperidin-4-carboxylic acid HCl
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.20250726 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1241725-63-2
- Purity/Analytical Methods: >99.0%
1241725-63-2 / 4-(4-bromophenyl)piperidine-4-carboxylic acid;hydrochloride
Basic Information
CAS
1241725-63-2
Multi CAS
No
Molecular Formula
C12H15BrClNO2
Molecular Weight
320.610000
Exact Mass
318.997470
SMILES
C1CNCCC1(C2=CC=C(C=C2)Br)C(=O)O.Cl
InChI
InChI=1S/C12H14BrNO2.ClH/c13-10-3-1-9(2-4-10)12(11(15)16)5-7-14-8-6-12;/h1-4,14H,5-8H2,(H,15,16);1H
InChIKey
IBKBIHPBVZJONK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.81
TPSA
49.33
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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