CAS RN: 422-03-7
2,2,3,3,3-PENTAFLUOROPROPYLAMINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260411 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS422-03-7
- Purity/Analytical Methods: >99.0%
422-03-7 / 2,2,3,3,3-pentafluoropropan-1-amine
Basic Information
CAS
422-03-7
Multi CAS
Yes
Molecular Formula
C3F5H4N
Molecular Weight
149.060000
Exact Mass
149.026390
InChI
InChI=1S/C3H4F5N/c4-2(5,1-9)3(6,7)8/h1,9H2
InChIKey
DPQNQLKPUVWGHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
20.06
TPSA
26.02
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.82
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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