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CAS 23292-16-2 5-(2-METHOXYPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL molecular structure lightbox
CAS RN: 23292-16-2

5-(2-METHOXYPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

  • Product code: SSC-112999
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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: 1g
  • 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 23292-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

23292-16-2 / 3-(2-methoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Standard CAS: 23292-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23292-16-2
Multi CAS
No
Molecular Formula
C16H15N3OS
Molecular Weight
297.400000
Exact Mass
297.093583
SMILES
CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)19-15(17-18-16(19)21)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,18,21)
InChIKey
MYMIOSWHDQLVHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.47
TPSA
42.84

LogP / Solubility

WLOGP
3.91
MLOGP
3.46
XLogP3
3.5
Consensus LogP
3.62
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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