CAS RN: 21049-39-8
Nonanoic acid, heptadecafluoro-, sodium salt
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS21049-39-8
- Purity/Analytical Methods: >99.0%
21049-39-8 / sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
Basic Information
CAS
21049-39-8
Multi CAS
No
Molecular Formula
C9F17NaO2
Molecular Weight
486.060000
Exact Mass
485.952452
SMILES
C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]
InChI
InChI=1S/C9HF17O2.Na/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);/q;+1/p-1
InChIKey
HMGYIWSXCDCHRF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
45.69
TPSA
40.13
LogP / Solubility
WLOGP
0.75
MLOGP
0.69
XLogP3
0.75
Consensus LogP
0.73
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-5.15
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
2.5
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