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CAS 2101517-69-3 (2R)-2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-(2,4-difluorophenyl)-2-phenylacetamide molecular structure lightbox
CAS RN: 2101517-69-3

(2R)-2-({[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}amino)-N-(2,4-difluorophenyl)-2-phenylacetamide

Product Availability

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14 package records14 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251220 10mg In stock Inquiry
Batchno.20250616 25mg In stock Inquiry
Batchno.20251027 50mg In stock Inquiry
Batchno.20250628 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 5mg / 10mg / 50mg / 100mg Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250207 100mg In stock Shanghai Inquiry
Batchno.20250202 10mg In stock Shanghai Inquiry
Batchno.20250429 1g In stock Shanghai Inquiry
Batchno.20250827 1mg In stock Shanghai Inquiry
Batchno.20260322 250mg In stock Shanghai Inquiry
Batchno.20260622 50mg In stock Shanghai Inquiry
Batchno.20250208 5g In stock Shanghai Inquiry
Batchno.20260305 5mg In stock Shanghai Inquiry
  • Product code: SSC-099933
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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 2101517-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2101517-69-3 / (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide

Standard CAS: 2101517-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2101517-69-3
Multi CAS
No
Molecular Formula
C23H15F8N3OS
Molecular Weight
533.400000
Exact Mass
533.080809
SMILES
C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H15F8N3OS/c24-15-6-7-18(17(25)11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32,34,36)/t19-/m1/s1
InChIKey
BDBWQANRZRCMMD-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
119.97
TPSA
53.16

LogP / Solubility

WLOGP
6.67
MLOGP
5.91
XLogP3
6.1
Consensus LogP
6.23
Log S (ESOL)
-7.39
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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