CAS RN: 355-27-1
1H,1H-Nonafluoropentylamine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS355-27-1
- Purity/Analytical Methods: >99.0%
355-27-1 / 2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
Basic Information
CAS
355-27-1
Multi CAS
No
Molecular Formula
C5F9H4N
Molecular Weight
249.080000
Exact Mass
249.020003
InChI
InChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
InChIKey
SUNUNYBGDFIAME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.95
TPSA
26.02
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.53
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
1.5
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