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CAS 1070879-92-3 6-ETHOXY-2-PROPYL-4-QUINOLINOL molecular structure lightbox
CAS RN: 1070879-92-3

6-ETHOXY-2-PROPYL-4-QUINOLINOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1070879-92-3
  • Purity/Analytical Methods: >99.0%
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1070879-92-3 / 6-ethoxy-2-propyl-1H-quinolin-4-one

6-Ethoxy-2-propyl-4-quinolinol | 6-Ethoxy-4-hydroxy-2-propylquinoline | 4-Quinolinol, 6-ethoxy-2-propyl-

Standard CAS: 1070879-92-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1070879-92-3
Multi CAS
Yes
Molecular Formula
C14H17NO2
Molecular Weight
231.290000
Exact Mass
231.125929
SMILES
CCCC1=CC(=O)C2=C(N1)C=CC(=C2)OCC
InChI
InChI=1S/C14H17NO2/c1-3-5-10-8-14(16)12-9-11(17-4-2)6-7-13(12)15-10/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKey
UYJKXKJQZDESSJ-UHFFFAOYSA-N
Synonyms
6-Ethoxy-2-propyl-4-quinolinol 6-Ethoxy-4-hydroxy-2-propylquinoline 4-Quinolinol, 6-ethoxy-2-propyl- 6-Ethoxy-2-propylquinolin-4(1H)-one DTXSID00653737

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.73
TPSA
42.09

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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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