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CAS 1206-97-9 6-Chloro-8-methoxy-2-methylquinolin-4-ol molecular structure lightbox
CAS RN: 1206-97-9

6-Chloro-8-methoxy-2-methylquinolin-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1206-97-9
  • Purity/Analytical Methods: >99.0%
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1206-97-9 / 6-chloro-8-methoxy-2-methyl-1H-quinolin-4-one

6-Chloro-8-methoxy-2-methylquinolin-4-ol | 6-Chloro-4-hydroxy-8-methoxy-2-methylquinoline | MFCD12675054

Standard CAS: 1206-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206-97-9
Multi CAS
No
Molecular Formula
C11H10ClNO2
Molecular Weight
223.650000
Exact Mass
223.040006
SMILES
CC1=CC(=O)C2=C(N1)C(=CC(=C2)Cl)OC
InChI
InChI=1S/C11H10ClNO2/c1-6-3-9(14)8-4-7(12)5-10(15-2)11(8)13-6/h3-5H,1-2H3,(H,13,14)
InChIKey
WWVIOEOKNNMNRN-UHFFFAOYSA-N
Synonyms
6-Chloro-8-methoxy-2-methylquinolin-4-ol 6-Chloro-4-hydroxy-8-methoxy-2-methylquinoline MFCD12675054 6-Chloro-8-methoxy-2-methylquinolin-4(1H)-one 6-chloro-8-methoxy-2-methyl-1H-quinolin-4-one

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.87
TPSA
42.09

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.31

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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