CAS RN: 57645-56-4
1-(4-Chlorobenzyl)piperidin-4-amine dihydrochloride
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.20250513 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57645-56-4
- Purity/Analytical Methods: >99.0%
57645-56-4 / 1-[(4-chlorophenyl)methyl]piperidin-4-amine;dihydrochloride
Basic Information
CAS
57645-56-4
Multi CAS
No
Molecular Formula
C12H19CL3N2
Molecular Weight
297.600000
Exact Mass
296.061382
InChI
InChI=1S/C12H17ClN2.2ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;;/h1-4,12H,5-9,14H2;2*1H
InChIKey
ZDJCTQHGLVJPMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.43
TPSA
29.26
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.11
Consensus LogP
2.99
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-FORMYL-5-METHOXY-1H-INDOLE-2-CARBOXYLIC ACID
- CAS RN: 57646-80-7
- Product Code: SSC-165818
-
3-amino-3-deoxy-D-glucose hydrochloride
- CAS RN: 57649-10-2
- Product Code: starshine_CAS57649-10-2
- Purity/Analytical method: >99.0%
-
-
-
POTASSIUM NITRATE-15N
- CAS RN: 57654-83-8
- Product Code: starshine_CAS57654-83-8
- Purity/Analytical method: >99.0%
-
3-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)PROPIONIC ACID
- CAS RN: 57658-21-6
- Product Code: SSC-165825
