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CAS 1642300-52-4 KPT-8602 molecular structure lightbox
CAS RN: 1642300-52-4

KPT-8602

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251122 10mg In stock Shanghai Inquiry
Batchno.20250615 1g Out of stock Inquiry
Batchno.20251006 1mg In stock Shanghai Inquiry
Batchno.20260411 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260624 25mg In stock Shanghai Inquiry
Batchno.20250708 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250421 5mg In stock Shanghai Inquiry
  • Product code: SSC-071678
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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 1642300-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1642300-52-4 / (E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide

Standard CAS: 1642300-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1642300-52-4
Multi CAS
No
Molecular Formula
C17H10F6N6O
Molecular Weight
428.290000
Exact Mass
428.082028
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)/C=C(\C3=CN=CN=C3)/C(=O)N
InChI
InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+
InChIKey
JFBAVWVBLRIWHM-AWNIVKPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.86
TPSA
99.58

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
2.5
Consensus LogP
2.88
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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)
-3.02

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
2.5

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