CAS RN: 127382-79-0
1-METHYL-4-(2-METHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 10mg | In stock | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS127382-79-0
- Purity/Analytical Methods: >99.0%
127382-79-0 / 1-methyl-4-(2-methylphenyl)-3,6-dihydro-2H-pyridine;hydrochloride
Basic Information
CAS
127382-79-0
Multi CAS
No
Molecular Formula
C13H18ClN
Molecular Weight
223.740000
Exact Mass
223.112777
SMILES
CC1=CC=CC=C1C2=CCN(CC2)C.Cl
InChI
InChI=1S/C13H17N.ClH/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12;/h3-7H,8-10H2,1-2H3;1H
InChIKey
QLIQCKBPYIWPTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.52
TPSA
3.24
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.14
Consensus LogP
3.01
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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