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CAS 33757-48-1 8-Benzoylaminoquinoline molecular structure lightbox
CAS RN: 33757-48-1

8-Benzoylaminoquinoline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 200mg In stock Shanghai Inquiry
  • Product code: starshine_CAS33757-48-1
  • Purity/Analytical Methods: >99.0%
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33757-48-1 / N-quinolin-8-ylbenzamide

Standard CAS: 33757-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33757-48-1
Multi CAS
No
Molecular Formula
C16H12N2O
Molecular Weight
248.280000
Exact Mass
248.094963
InChI
InChI=1S/C16H12N2O/c19-16(13-6-2-1-3-7-13)18-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H,(H,18,19)
InChIKey
YGICLPNGPGZANM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.14
TPSA
41.99

LogP / Solubility

WLOGP
3.49
MLOGP
3.07
XLogP3
3.6
Consensus LogP
3.39
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.76

Drug-likeness / Medicinal Chemistry

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

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