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CAS 16489-89-7 2,2,4,6-tetramethyl-3,4-dihydro-1H-quinoline molecular structure lightbox
CAS RN: 16489-89-7

2,2,4,6-tetramethyl-3,4-dihydro-1H-quinoline

  • Product code: SSC-072061
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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 16489-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

16489-89-7 / 2,2,4,6-tetramethyl-3,4-dihydro-1H-quinoline

Standard CAS: 16489-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16489-89-7
Multi CAS
No
Molecular Formula
C13H19N
Molecular Weight
189.300000
Exact Mass
189.151750
SMILES
CC1CC(NC2=C1C=C(C=C2)C)(C)C
InChI
InChI=1S/C13H19N/c1-9-5-6-12-11(7-9)10(2)8-13(3,4)14-12/h5-7,10,14H,8H2,1-4H3
InChIKey
GEQCFTHAGHLACO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.91
TPSA
12.03

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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