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CAS 73685-56-0 N-BENZYL-2-CHLORO-N-METHYLACETAMIDE molecular structure lightbox
CAS RN: 73685-56-0

N-BENZYL-2-CHLORO-N-METHYLACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73685-56-0
  • Purity/Analytical Methods: >99.0%
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73685-56-0 / N-benzyl-2-chloro-N-methylacetamide

Standard CAS: 73685-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73685-56-0
Multi CAS
No
Molecular Formula
C10H12CLNO
Molecular Weight
197.660000
Exact Mass
197.060742
InChI
InChI=1S/C10H12ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
CRKXYFYKAPEYAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
53.64
TPSA
20.31

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.59

Drug-likeness / Medicinal Chemistry

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

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