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CAS 1422978-91-3 8-Chloro-7-methoxyquinoline molecular structure lightbox
CAS RN: 1422978-91-3

8-Chloro-7-methoxyquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1422978-91-3
  • Purity/Analytical Methods: >99.0%
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1422978-91-3 / 8-chloro-7-methoxyquinoline

Standard CAS: 1422978-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1422978-91-3
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
COC1=C(C2=C(C=CC=N2)C=C1)Cl
InChI
InChI=1S/C10H8ClNO/c1-13-8-5-4-7-3-2-6-12-10(7)9(8)11/h2-6H,1H3
InChIKey
NLAFVDTYGSLSMC-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
2.8
Consensus LogP
2.75
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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