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CAS 27314-97-2 Tirapazamine molecular structure lightbox
CAS RN: 27314-97-2

Tirapazamine

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 100mg In stock Shanghai Inquiry
Batchno.20251205 10mg In stock Shanghai Inquiry
Batchno.20250405 1g In stock Shanghai Inquiry
Batchno.20250528 1mg In stock Shanghai Inquiry
Batchno.20251209 250mg In stock Shanghai Inquiry
Batchno.20260330 50mg Out of stock Inquiry
  • Product code: SSC-126328
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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 27314-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

27314-97-2 / 1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine

Standard CAS: 27314-97-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27314-97-2
Multi CAS
Yes
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
InChI
InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)
InChIKey
ORYDPOVDJJZGHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.08
TPSA
92.79

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.81
XLogP3
-0.3
Consensus LogP
-0.68
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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