![CAS 655224-73-0 Benzamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/655224-73-0.gif)
CAS RN: 655224-73-0
Benzamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250325 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS655224-73-0
- Purity/Analytical Methods: >99.0%
655224-73-0 / N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Basic Information
CAS
655224-73-0
Multi CAS
No
Molecular Formula
C15F3H19N4O3
Molecular Weight
360.330000
Exact Mass
360.140925
InChI
InChI=1S/C15H19F3N4O3/c16-15(17,18)14(21-22-14)12-3-1-11(2-4-12)13(23)20-6-8-25-10-9-24-7-5-19/h1-4H,5-10,19H2,(H,20,23)
InChIKey
GRXZFFJIEQEHMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.06
TPSA
98.3
LogP / Solubility
WLOGP
1.59
MLOGP
1.42
XLogP3
1
Consensus LogP
1.34
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
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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