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CAS 54965-59-2 2-chloro-4-methyl-6-nitro-quinoline molecular structure lightbox
CAS RN: 54965-59-2

2-chloro-4-methyl-6-nitro-quinoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54965-59-2
  • Purity/Analytical Methods: >99.0%
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54965-59-2 / 2-chloro-4-methyl-6-nitroquinoline

Standard CAS: 54965-59-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54965-59-2
Multi CAS
No
Molecular Formula
C10H7CLN2O2
Molecular Weight
222.630000
Exact Mass
222.019605
InChI
InChI=1S/C10H7ClN2O2/c1-6-4-10(11)12-9-3-2-7(13(14)15)5-8(6)9/h2-5H,1H3
InChIKey
PTZXWOQFSDHSDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.14
TPSA
56.03

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.3
Consensus LogP
3.04
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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