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CAS 1388027-52-8 8-chloro-5-Methylquinolin-2(1H)-one molecular structure lightbox
CAS RN: 1388027-52-8

8-chloro-5-Methylquinolin-2(1H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1388027-52-8
  • Purity/Analytical Methods: >99.0%
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1388027-52-8 / 8-chloro-5-methyl-1H-quinolin-2-one

Standard CAS: 1388027-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1388027-52-8
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
CC1=C2C=CC(=O)NC2=C(C=C1)Cl
InChI
InChI=1S/C10H8ClNO/c1-6-2-4-8(11)10-7(6)3-5-9(13)12-10/h2-5H,1H3,(H,12,13)
InChIKey
NTHZLDYVLOCFAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.32
TPSA
32.86

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.33
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.13

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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