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CAS 292057-76-2 Mcl1-IN-2 molecular structure lightbox
CAS RN: 292057-76-2

Mcl1-IN-2

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS292057-76-2
  • Purity/Analytical Methods: >99.0%
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292057-76-2 / 7-[(pyridin-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol

Standard CAS: 292057-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
292057-76-2
Multi CAS
No
Molecular Formula
C19H15N3OS
Molecular Weight
333.400000
Exact Mass
333.093583
InChI
InChI=1S/C19H15N3OS/c23-19-14(9-8-13-5-3-11-21-17(13)19)18(15-6-4-12-24-15)22-16-7-1-2-10-20-16/h1-12,18,23H,(H,20,22)
InChIKey
ICJKSTJCIAGPIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
97.43
TPSA
58.04

LogP / Solubility

WLOGP
4.6
MLOGP
4.06
XLogP3
4
Consensus LogP
4.22
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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