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CAS 1453848-26-4 GDC-0994 molecular structure lightbox
CAS RN: 1453848-26-4

GDC-0994

Product Availability

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100mg In stock Shanghai Inquiry
Batchno.20260626 10mg In stock Shanghai Inquiry
Batchno.20250201 1mg In stock Shanghai Inquiry
Batchno.20251216 250mg In stock Shanghai Inquiry
Batchno.20260516 25mg In stock Shanghai Inquiry
Batchno.20250402 2mg In stock Shanghai Inquiry
Batchno.20260412 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251002 5mg In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-056719
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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: 0.25g
  • 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 1453848-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1453848-26-4 / 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one

Standard CAS: 1453848-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1453848-26-4
Multi CAS
No
Molecular Formula
C21H18ClFN6O2
Molecular Weight
440.900000
Exact Mass
440.116380
SMILES
CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)F
InChI
InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
InChIKey
RZUOCXOYPYGSKL-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
114.85
TPSA
97.86

LogP / Solubility

WLOGP
3.16
MLOGP
2.81
XLogP3
2
Consensus LogP
2.66
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.17

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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