CAS RN: 54802-12-9
2-(2-cyanophenoxy)acetamide
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.20250909 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54802-12-9
- Purity/Analytical Methods: >99.0%
54802-12-9 / 2-(2-cyanophenoxy)acetamide
Basic Information
CAS
54802-12-9
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,6H2,(H2,11,12)
InChIKey
RYOYNMJXEHNYAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.85
TPSA
76.11
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.5
Consensus LogP
0.43
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
POLY(2,2,2-TRIFLUOROETHYL METHACRYLATE)
- CAS RN: 54802-79-8
- Product Code: starshine_CAS54802-79-8
- Purity/Analytical method: >99.0%
-
-
TRANS-CHLORO(1-NAPHTHYL)BIS(TRIPHENYLPHOSPHINE)-NICKEL
- CAS RN: 54806-25-6
- Product Code: SSC-162640
-
-
