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CAS 32018-57-8 1-BENZYL-4-METHYL-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 32018-57-8

1-BENZYL-4-METHYL-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE

  • Product code: SSC-137485
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 32018-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

32018-57-8 / 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;hydrochloride

Standard CAS: 32018-57-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32018-57-8
Multi CAS
No
Molecular Formula
C13H18CLN
Molecular Weight
223.740000
Exact Mass
223.112777
InChI
InChI=1S/C13H17N.ClH/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;/h2-7H,8-11H2,1H3;1H
InChIKey
KWKBMFMDYFRMAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.34
TPSA
3.24

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.26
Consensus LogP
3.13
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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