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CAS 234-80-0 S-TRIAZOLO[3,4-A]PHTHALAZINE molecular structure lightbox
CAS RN: 234-80-0

S-TRIAZOLO[3,4-A]PHTHALAZINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250712 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS234-80-0
  • Purity/Analytical Methods: >99.0%
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234-80-0 / [1,2,4]triazolo[3,4-a]phthalazine

Standard CAS: 234-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
234-80-0
Multi CAS
No
Molecular Formula
C9H6N4
Molecular Weight
170.170000
Exact Mass
170.059246
SMILES
C1=CC=C2C(=C1)C=NN3C2=NN=C3
InChI
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)5-11-13-6-10-12-9(8)13/h1-6H
InChIKey
JVJPJKLSGUJUJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
13
H-bond acceptors
4
Molar refractivity
48.29
TPSA
43.08

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

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

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