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CAS 150749-30-7 7-Quinolinol, 1-ethyl-1,2-dihydro-2,2,4-trimethyl- molecular structure lightbox
CAS RN: 150749-30-7

7-Quinolinol, 1-ethyl-1,2-dihydro-2,2,4-trimethyl-

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Batchno.20260328 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS150749-30-7
  • Purity/Analytical Methods: >99.0%
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150749-30-7 / 1-ethyl-2,2,4-trimethylquinolin-7-ol

Standard CAS: 150749-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150749-30-7
Multi CAS
No
Molecular Formula
C14H19NO
Molecular Weight
217.310000
Exact Mass
217.146664
SMILES
CCN1C2=C(C=CC(=C2)O)C(=CC1(C)C)C
InChI
InChI=1S/C14H19NO/c1-5-15-13-8-11(16)6-7-12(13)10(2)9-14(15,3)4/h6-9,16H,5H2,1-4H3
InChIKey
YJYCFJXQNBJTDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.86
TPSA
23.47

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
2.9
Consensus LogP
3.11
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.62

Drug-likeness / Medicinal Chemistry

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

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