CAS RN: 22778-17-2
ACETANILIDE-D8
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22778-17-2
- Purity/Analytical Methods: >99.0%
22778-17-2 / N-phenylacetamide
Basic Information
CAS
22778-17-2
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
SMILES
CC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D,6D
InChIKey
FZERHIULMFGESH-JGUCLWPXSA-N
Physical Properties
Melting Point
237.7 °F (NTP, 1992)
114.3 °C
Boiling Point
579 °F at 760 mmHg (NTP, 1992)
304 °C @ 760 MM HG
Density
1.219 at 59 °F (NTP, 1992) - Denser than water; will sink
1.2190 @ 15 °C
Physical Description
Acetanilide is a white to gray solid. (NTP, 1992)
Dry Powder
White odorless solid; [Hawley] White to gray solid; Sensitive to prolonged contact with air; [CAMEO] Off-white chips;
Solid
Appearance
ORTHORHOMBIC PLATES OR SCALES FROM WATER
WHITE SHINING CRYSTALLINE SCALES
White, shining crystalline leaflets or white crystalline powder.
Colorless, glossy, crystalline material.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.75
TPSA
29.1
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.38
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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