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CAS 143017-63-4 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride molecular structure lightbox
CAS RN: 143017-63-4

4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine hydrochloride

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Batchno.20251229 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS143017-63-4
  • Purity/Analytical Methods: >99.0%
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143017-63-4 / 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride

Standard CAS: 143017-63-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143017-63-4
Multi CAS
No
Molecular Formula
C12H16ClNO
Molecular Weight
225.710000
Exact Mass
225.092042
SMILES
COC1=CC=C(C=C1)C2=CCNCC2.Cl
InChI
InChI=1S/C12H15NO.ClH/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11;/h2-6,13H,7-9H2,1H3;1H
InChIKey
REHFBEFMGKEPIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.71
TPSA
21.26

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.33

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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