CAS RN: 34455-00-0
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulphonamide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251024 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260224 | 25g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260304 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS34455-00-0
- Purity/Analytical Methods: >99.0%
34455-00-0 / 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
Basic Information
CAS
34455-00-0
Multi CAS
No
Molecular Formula
C8F9H10NO4S
Molecular Weight
387.220000
Exact Mass
387.018682
InChI
InChI=1S/C8H10F9NO4S/c9-5(10,7(13,14)15)6(11,12)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2
InChIKey
XYQNMGJZDSSVRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.56
TPSA
77.84
LogP / Solubility
WLOGP
1.03
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.12
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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