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CAS 17012-44-1 5-Chloro-8-Methoxy-quinoline molecular structure lightbox
CAS RN: 17012-44-1

5-Chloro-8-Methoxy-quinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS17012-44-1
  • Purity/Analytical Methods: >99.0%
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17012-44-1 / 5-chloro-8-methoxyquinoline

Standard CAS: 17012-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17012-44-1
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
COC1=C2C(=C(C=C1)Cl)C=CC=N2
InChI
InChI=1S/C10H8ClNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3
InChIKey
YZCSDQVSXILXPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.31
TPSA
22.12

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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