CAS RN: 1523617-83-5
3-Methyl-1,2,5,6-tetrahydropyridine hydrochloride
- Product code: SSC-062208
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1523617-83-5 / 5-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
Basic Information
CAS
1523617-83-5
Multi CAS
No
Molecular Formula
C6H12ClN
Molecular Weight
133.620000
Exact Mass
133.065827
SMILES
CC1=CCCNC1.Cl
InChI
InChI=1S/C6H11N.ClH/c1-6-3-2-4-7-5-6;/h3,7H,2,4-5H2,1H3;1H
InChIKey
WBRIYJABBYHGRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.49
TPSA
12.03
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
1.35
Consensus LogP
1.29
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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