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CAS 74270-78-3 4-BENZYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure lightbox
CAS RN: 74270-78-3

4-BENZYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74270-78-3
  • Purity/Analytical Methods: >99.0%
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74270-78-3 / 4-benzyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Standard CAS: 74270-78-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74270-78-3
Multi CAS
Yes
Molecular Formula
C14H12N4S
Molecular Weight
268.340000
Exact Mass
268.078268
InChI
InChI=1S/C14H12N4S/c19-14-17-16-13(12-6-8-15-9-7-12)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKey
CPPAKJNMGGTEHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.19
TPSA
46.5

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.1
Consensus LogP
2.61
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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