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CAS 692870-25-0 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide molecular structure lightbox
CAS RN: 692870-25-0

2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 10mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS692870-25-0
  • Purity/Analytical Methods: >99.0%
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692870-25-0 / 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

Standard CAS: 692870-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
692870-25-0
Multi CAS
No
Molecular Formula
C16H11CLFN3OS
Molecular Weight
347.800000
Exact Mass
347.029539
InChI
InChI=1S/C16H11ClFN3OS/c17-12-2-1-3-13(18)11(12)8-15(22)21-16-20-14(9-23-16)10-4-6-19-7-5-10/h1-7,9H,8H2,(H,20,21,22)
InChIKey
BPGUVXHQHDKSTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.09
TPSA
54.88

LogP / Solubility

WLOGP
4.18
MLOGP
3.7
XLogP3
3.4
Consensus LogP
3.76
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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