CAS RN: 1289386-23-7
Methyl-piperidin-3-yl-(1-thiazol-2-yl-ethyl)-aMine hydrochloride
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.20251104 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1289386-23-7
- Purity/Analytical Methods: >99.0%
1289386-23-7 / N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine;hydrochloride
Basic Information
CAS
1289386-23-7
Multi CAS
No
Molecular Formula
C11H20ClN3S
Molecular Weight
261.820000
Exact Mass
261.106647
SMILES
CC(C1=NC=CS1)N(C)C2CCCNC2.Cl
InChI
InChI=1S/C11H19N3S.ClH/c1-9(11-13-6-7-15-11)14(2)10-4-3-5-12-8-10;/h6-7,9-10,12H,3-5,8H2,1-2H3;1H
InChIKey
OZJFECBMTMBZQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.43
TPSA
28.16
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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