[email protected]
CAS 34454-97-2 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide molecular structure lightbox
CAS RN: 34454-97-2

1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS34454-97-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

34454-97-2 / 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide

Standard CAS: 34454-97-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
34454-97-2
Multi CAS
Yes
Molecular Formula
C7F9H8NO3S
Molecular Weight
357.200000
Exact Mass
357.008118
InChI
InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3
InChIKey
DSRUAYIFDCHEEV-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.53
TPSA
57.61

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
2.1
Consensus LogP
1.75
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

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

Customers Also Viewed

Get In Touch

Contact Us