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CAS 52494-24-3 (5-P-TOLYLAMINO-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE molecular structure lightbox
CAS RN: 52494-24-3

(5-P-TOLYLAMINO-[1,3,4]THIADIAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE

  • Product code: SSC-159615
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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 52494-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

52494-24-3 / 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide

Standard CAS: 52494-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52494-24-3
Multi CAS
No
Molecular Formula
C11H13N5OS2
Molecular Weight
295.400000
Exact Mass
295.056152
InChI
InChI=1S/C11H13N5OS2/c1-7-2-4-8(5-3-7)13-10-15-16-11(19-10)18-6-9(17)14-12/h2-5H,6,12H2,1H3,(H,13,15)(H,14,17)
InChIKey
PHMWWNWFWWVWHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
77.42
TPSA
92.93

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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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