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CAS 54768-19-3 Quinoline, 1,2,3,4-tetrahydro-6-(1-methylethyl)- (9CI) molecular structure lightbox
CAS RN: 54768-19-3

Quinoline, 1,2,3,4-tetrahydro-6-(1-methylethyl)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-162595
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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: 0.25g
  • Available purity: ≥97%
  • 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 54768-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry

54768-19-3 / 6-propan-2-yl-1,2,3,4-tetrahydroquinoline

Standard CAS: 54768-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54768-19-3
Multi CAS
No
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
InChI
InChI=1S/C12H17N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKey
JEABVAYJIJIXLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.34
TPSA
12.03

LogP / Solubility

WLOGP
3.17
MLOGP
2.78
XLogP3
3.4
Consensus LogP
3.12
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.54

Drug-likeness / Medicinal Chemistry

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

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