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CAS 796115-75-8 2-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)acetamide molecular structure lightbox
CAS RN: 796115-75-8

2-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)acetamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS796115-75-8
  • Purity/Analytical Methods: >99.0%
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796115-75-8 / 2-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)acetamide

Standard CAS: 796115-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
796115-75-8
Multi CAS
No
Molecular Formula
C11H9CLN2OS
Molecular Weight
252.720000
Exact Mass
252.012412
InChI
InChI=1S/C11H9ClN2OS/c12-9-4-2-1-3-8(9)7-10(15)14-11-13-5-6-16-11/h1-6H,7H2,(H,13,14,15)
InChIKey
FLITWEQVHZUSRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.9
TPSA
41.99

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.7
Consensus LogP
2.77
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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