CAS RN: 51304-61-1
4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE 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.20260303 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51304-61-1
- Purity/Analytical Methods: >99.0%
51304-61-1 / 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
Basic Information
CAS
51304-61-1
Multi CAS
Yes
Molecular Formula
C11H13CL2N
Molecular Weight
230.130000
Exact Mass
229.042505
InChI
InChI=1S/C11H12ClN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H
InChIKey
NGDJUNABWNTULX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.16
TPSA
12.03
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3.14
Consensus LogP
3.02
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS51309-03-6
- Purity/Analytical method: >99.0%
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