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CAS 314045-39-1 bis-2-(5-PhenylacetMido-1,2,4-Thiadiazol-2-yl)Ethyl Sulfide molecular structure lightbox
CAS RN: 314045-39-1

bis-2-(5-PhenylacetMido-1,2,4-Thiadiazol-2-yl)Ethyl Sulfide

Product Availability

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13 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg In stock Inquiry
Batchno.20260220 10mg In stock Inquiry
Batchno.20260219 1g In stock Inquiry
Batchno.20250716 250mg In stock Inquiry
Batchno.20251105 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 1mg / 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100mg In stock Shanghai Inquiry
Batchno.20251102 10mg In stock Shanghai, Tianjin Inquiry
Batchno.20250315 1g Out of stock Inquiry
Batchno.20250707 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251213 250mg In stock Shanghai Inquiry
Batchno.20250602 50mg In stock Shanghai Inquiry
Batchno.20250927 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-136773
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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 314045-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

314045-39-1 / 2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide

Standard CAS: 314045-39-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
314045-39-1
Multi CAS
Yes
Molecular Formula
C24H24N6O2S3
Molecular Weight
524.700000
Exact Mass
524.112288
InChI
InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)
InChIKey
MDJIPXYRSZHCFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
22
Fraction Csp3
0.25
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
2
Molar refractivity
142.1
TPSA
109.76

LogP / Solubility

WLOGP
4.27
MLOGP
3.8
XLogP3
4
Consensus LogP
4.02
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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