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CAS 199186-60-2 Quinoline, 8-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl- (9CI) molecular structure lightbox
CAS RN: 199186-60-2

Quinoline, 8-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl- (9CI)

  • Product code: SSC-093789
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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 199186-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

199186-60-2 / 8-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline

Standard CAS: 199186-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199186-60-2
Multi CAS
No
Molecular Formula
C14H21NO
Molecular Weight
219.320000
Exact Mass
219.162314
SMILES
CCOC1=CC=CC2=C1NC(CC2C)(C)C
InChI
InChI=1S/C14H21NO/c1-5-16-12-8-6-7-11-10(2)9-14(3,4)15-13(11)12/h6-8,10,15H,5,9H2,1-4H3
InChIKey
GOJXGQWVJPIGSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.34
TPSA
21.26

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.6
Consensus LogP
3.57
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

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

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