CAS RN: 2262-49-9
N-Propyl-N-(2,3-dihydroxypropyl)perfluoro-n-octylsulfonamide
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.20250628 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTP1162
- Purity/Analytical Methods: >78.0%(GC)
2262-49-9 / N-(2,3-dihydroxypropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-propyloctane-1-sulfonamide
Basic Information
CAS
2262-49-9
Multi CAS
No
Molecular Formula
C14H14F17NO4S
Molecular Weight
615.300000
Exact Mass
615.037208
SMILES
CCCN(CC(CO)O)S(=O)(=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
InChI
InChI=1S/C14H14F17NO4S/c1-2-3-32(4-6(34)5-33)37(35,36)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6,33-34H,2-5H2,1H3
InChIKey
JBUOTOPAJZUSGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.56
TPSA
77.84
LogP / Solubility
WLOGP
4.35
MLOGP
3.88
XLogP3
5
Consensus LogP
4.41
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
