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CAS 51314-64-8 5-PENTAFLUOROETHYL-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 51314-64-8

5-PENTAFLUOROETHYL-[1,3,4]THIADIAZOL-2-YLAMINE

  • Product code: SSC-158171
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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 51314-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51314-64-8 / 5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-amine

Standard CAS: 51314-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51314-64-8
Multi CAS
No
Molecular Formula
C4F5H2N3S
Molecular Weight
219.140000
Exact Mass
218.988959
InChI
InChI=1S/C4H2F5N3S/c5-3(6,4(7,8)9)1-11-12-2(10)13-1/h(H2,10,12)
InChIKey
NGOZZJNCZLAIPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.27
TPSA
51.8

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

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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