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CAS 6021-21-2 N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide molecular structure lightbox
CAS RN: 6021-21-2

N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 50mg / 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6021-21-2
  • Purity/Analytical Methods: >99.0%
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6021-21-2 / N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide

Standard CAS: 6021-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6021-21-2
Multi CAS
Yes
Molecular Formula
C16H13CL2NO2
Molecular Weight
322.200000
Exact Mass
321.032334
InChI
InChI=1S/C16H13Cl2NO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
DSAWUUVGNZAARH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
85.46
TPSA
37.38

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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