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CAS 314761-14-3 BTSA 1 molecular structure lightbox
CAS RN: 314761-14-3

BTSA 1

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 1mg / 5mg / 10mg / 25mg / 50mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-136869
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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 314761-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

314761-14-3 / 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one

Standard CAS: 314761-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
314761-14-3
Multi CAS
No
Molecular Formula
C21H14N6OS2
Molecular Weight
430.500000
Exact Mass
430.067051
InChI
InChI=1S/C21H14N6OS2/c28-19-18(24-25-20-22-11-12-29-20)17(15-9-5-2-6-10-15)26-27(19)21-23-16(13-30-21)14-7-3-1-4-8-14/h1-13,26H
InChIKey
CTRCXGFSYFTJIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
27
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
119.22
TPSA
88.29

LogP / Solubility

WLOGP
5.83
MLOGP
5.16
XLogP3
5.5
Consensus LogP
5.5
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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