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CAS 874595-08-1 2-CHLORO-N-CYCLOPROPYL-N-(2-FLUOROBENZYL)ACETAMIDE molecular structure lightbox
CAS RN: 874595-08-1

2-CHLORO-N-CYCLOPROPYL-N-(2-FLUOROBENZYL)ACETAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS874595-08-1
  • Purity/Analytical Methods: >99.0%
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874595-08-1 / 2-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

Standard CAS: 874595-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874595-08-1
Multi CAS
No
Molecular Formula
C12H13CLFNO
Molecular Weight
241.690000
Exact Mass
241.066970
InChI
InChI=1S/C12H13ClFNO/c13-7-12(16)15(10-5-6-10)8-9-3-1-2-4-11(9)14/h1-4,10H,5-8H2
InChIKey
FHACDHUPEDIQBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
60.69
TPSA
20.31

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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