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CAS 1450644-28-6 TNU9056 molecular structure lightbox
CAS RN: 1450644-28-6

TNU9056

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1450644-28-6
  • Purity/Analytical Methods: >99.0%
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1450644-28-6 / 5-(1,2-thiazol-5-yldisulfanyl)-1,2-thiazole

Standard CAS: 1450644-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1450644-28-6
Multi CAS
No
Molecular Formula
C6H4N2S4
Molecular Weight
232.400000
Exact Mass
231.925733
SMILES
C1=C(SN=C1)SSC2=CC=NS2
InChI
InChI=1S/C6H4N2S4/c1-3-7-9-5(1)11-12-6-2-4-8-10-6/h1-4H
InChIKey
MLRAMCAHIWHWRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
55.94
TPSA
25.78

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
2.8
Consensus LogP
3.07
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

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

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