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CAS 2721-59-7 3-METHYLQUINOLIN-2-ONE molecular structure lightbox
CAS RN: 2721-59-7

3-METHYLQUINOLIN-2-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2721-59-7
  • Purity/Analytical Methods: >99.0%
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2721-59-7 / 3-methyl-1H-quinolin-2-one

Standard CAS: 2721-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2721-59-7
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
SMILES
CC1=CC2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
InChIKey
POYSUXIHCXBJPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.31
TPSA
32.86

LogP / Solubility

WLOGP
1.84
MLOGP
1.61
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.39

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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