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CAS 31130-15-1 5-(4-METHYLPHENYL)-1 3 4-OXADIAZOLE-2-& molecular structure lightbox
CAS RN: 31130-15-1

5-(4-METHYLPHENYL)-1 3 4-OXADIAZOLE-2-&

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31130-15-1
  • Purity/Analytical Methods: >99.0%
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31130-15-1 / 5-(4-methylphenyl)-3H-1,3,4-oxadiazole-2-thione

Standard CAS: 31130-15-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31130-15-1
Multi CAS
Yes
Molecular Formula
C9H8N2OS
Molecular Weight
192.240000
Exact Mass
192.035734
InChI
InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
InChIKey
RCICTPARDQGART-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.86
TPSA
41.82

LogP / Solubility

WLOGP
2.71
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.5
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

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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