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CAS 443798-47-8 Cdk1/2 Inhibitor III molecular structure lightbox
CAS RN: 443798-47-8

Cdk1/2 Inhibitor III

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 2mg In stock Shanghai Inquiry
  • Product code: starshine_CAS443798-47-8
  • Purity/Analytical Methods: >99.0%
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443798-47-8 / 5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide

Standard CAS: 443798-47-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
443798-47-8
Multi CAS
Yes
Molecular Formula
C15F2H13N7O2S2
Molecular Weight
425.400000
Exact Mass
425.054021
InChI
InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
InChIKey
ARIOBGGRZJITQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
103.51
TPSA
140.95

LogP / Solubility

WLOGP
1.77
MLOGP
1.59
XLogP3
2.2
Consensus LogP
1.85
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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