CAS RN: 777-33-3
(S)-(-)-2-(TRIFLUOROACETAMIDO)SUCCINIC ANHYDRIDE
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.20250319 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS777-33-3
- Purity/Analytical Methods: >99.0%
777-33-3 / N-(2,5-dioxooxolan-3-yl)-2,2,2-trifluoroacetamide
Basic Information
CAS
777-33-3
Multi CAS
Yes
Molecular Formula
C6F3H4NO4
Molecular Weight
211.100000
Exact Mass
211.009242
InChI
InChI=1S/C6H4F3NO4/c7-6(8,9)5(13)10-2-1-3(11)14-4(2)12/h2H,1H2,(H,10,13)
InChIKey
ABTJOHYOWBAGTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.7
TPSA
72.47
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.43
XLogP3
0.1
Consensus LogP
-0.27
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
