CAS RN: 625-89-8
N-nitrosobis(2,2,2-trifluoroethyl)amine
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.20260324 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS625-89-8
- Purity/Analytical Methods: >99.0%
625-89-8 / N,N-bis(2,2,2-trifluoroethyl)nitrous amide
Basic Information
CAS
625-89-8
Multi CAS
No
Molecular Formula
C4F6H4N2O
Molecular Weight
210.080000
Exact Mass
210.022782
InChI
InChI=1S/C4H4F6N2O/c5-3(6,7)1-12(11-13)2-4(8,9)10/h1-2H2
InChIKey
YUEXLPFBTMPXCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
29.48
TPSA
32.67
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 626-38-0
- Product Code: starshine_CAS626-38-0
- Purity/Analytical method: >99.0%
