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CAS 1846-33-9 N-(2-Oxo-2-phenylethyl)acetamide molecular structure lightbox
CAS RN: 1846-33-9

N-(2-Oxo-2-phenylethyl)acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1846-33-9
  • Purity/Analytical Methods: >99.0%
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1846-33-9 / N-phenacylacetamide

Standard CAS: 1846-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1846-33-9
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
CC(=O)NCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H11NO2/c1-8(12)11-7-10(13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12)
InChIKey
PKAGJSPRMNFMPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.46
TPSA
46.17

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
1.8
Consensus LogP
1.23
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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