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CAS 15644-91-4 6-Ethoxy-2-methyl-4-quinolinol molecular structure lightbox
CAS RN: 15644-91-4

6-Ethoxy-2-methyl-4-quinolinol

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Batchno.20251031 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15644-91-4
  • Purity/Analytical Methods: >99.0%
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15644-91-4 / 6-ethoxy-2-methyl-1H-quinolin-4-one

Standard CAS: 15644-91-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15644-91-4
Multi CAS
No
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
SMILES
CCOC1=CC2=C(C=C1)NC(=CC2=O)C
InChI
InChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)12(14)6-8(2)13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
XRQJZFPDCHMABR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.47
TPSA
42.09

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.3
Consensus LogP
2.17
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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