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CAS 2079895-42-2 CDK2 inhibitor 73 molecular structure lightbox
CAS RN: 2079895-42-2

CDK2 inhibitor 73

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251227 10mg In stock Inquiry
Batchno.20260331 25mg In stock Inquiry
Batchno.20250921 50mg In stock Inquiry
Batchno.20250524 5mg In stock Inquiry
  • Product code: SSC-097849
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.025g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2079895-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g ≥95% 0 Out of Stock Beijing Inquiry

2079895-42-2 / 4-[[6-(3-phenylphenyl)-7H-purin-2-yl]amino]benzenesulfonamide

Standard CAS: 2079895-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2079895-42-2
Multi CAS
No
Molecular Formula
C23H18N6O2S
Molecular Weight
442.500000
Exact Mass
442.121195
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C(=NC(=N3)NC5=CC=C(C=C5)S(=O)(=O)N)N=CN4
InChI
InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
InChIKey
FUGRWXRQJGJIER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
27
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
123.65
TPSA
126.65

LogP / Solubility

WLOGP
4.08
MLOGP
3.62
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

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

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