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CAS 61855-46-7 2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLIN-6-OL molecular structure lightbox
CAS RN: 61855-46-7

2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLIN-6-OL

  • Product code: SSC-170827
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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 61855-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

61855-46-7 / (4S)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-ol

Standard CAS: 61855-46-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61855-46-7
Multi CAS
Yes
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
InChI
InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-6,8,13-14H,7H2,1-3H3/t8-/m0/s1
InChIKey
WYUZAQKIFRPZED-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.84
TPSA
32.26

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
2.9
Consensus LogP
2.9
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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