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CAS 313380-27-7 SALOR-INT L224693-1EA molecular structure lightbox
CAS RN: 313380-27-7

SALOR-INT L224693-1EA

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13 package records13 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg In stock Inquiry
Batchno.20260201 10mg In stock Inquiry
Batchno.20251206 25mg In stock Inquiry
Batchno.20250602 50mg In stock Inquiry
Batchno.20260116 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100mg In stock Shanghai Inquiry
Batchno.20251208 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250916 1g In stock Shanghai Inquiry
Batchno.20250414 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260405 250mg In stock Shanghai Inquiry
Batchno.20260606 25mg In stock Shanghai Inquiry
Batchno.20251206 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260402 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS313380-27-7
  • Purity/Analytical Methods: >99.0%
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313380-27-7 / 3-amino-N-(4-fluorophenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Standard CAS: 313380-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313380-27-7
Multi CAS
No
Molecular Formula
C19F4H11N3OS2
Molecular Weight
437.400000
Exact Mass
437.027967
InChI
InChI=1S/C19H11F4N3OS2/c20-9-3-5-10(6-4-9)25-17(27)16-15(24)14-11(19(21,22)23)8-12(26-18(14)29-16)13-2-1-7-28-13/h1-8H,24H2,(H,25,27)
InChIKey
ZATJMMZPGVDUOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.7
TPSA
68.01

LogP / Solubility

WLOGP
6.02
MLOGP
5.32
XLogP3
5.6
Consensus LogP
5.65
Log S (ESOL)
-6.66
Class (ESOL)
Insoluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12

Drug-likeness / Medicinal Chemistry

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

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