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CAS 546102-60-7 Cdk4 Inhibitor molecular structure lightbox
CAS RN: 546102-60-7

Cdk4 Inhibitor

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS546102-60-7
  • Purity/Analytical Methods: >99.0%
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546102-60-7 / 6-bromo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione

Standard CAS: 546102-60-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
546102-60-7
Multi CAS
Yes
Molecular Formula
BC20H10O2Rn3
Molecular Weight
404.200000
Exact Mass
402.995640
InChI
InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
InChIKey
NMFKDDRQSNVETB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
H-bond acceptors
2
H-bond donors
3
Molar refractivity
104.66
TPSA
77.75

LogP / Solubility

WLOGP
4.6
MLOGP
4.07
XLogP3
4.3
Consensus LogP
4.32
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.11
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
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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