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CAS 34454-99-4 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-hydroxyethyl-butane-1-sulfonamide molecular structure lightbox
CAS RN: 34454-99-4

1,1,2,2,3,3,4,4,4-nonafluoro-N-2-hydroxyethyl-butane-1-sulfonamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260620 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-140922
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34454-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

34454-99-4 / 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

Standard CAS: 34454-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34454-99-4
Multi CAS
No
Molecular Formula
C6F9H6NO3S
Molecular Weight
343.170000
Exact Mass
342.992468
InChI
InChI=1S/C6H6F9NO3S/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)16-1-2-17/h16-17H,1-2H2
InChIKey
ASJXVGSUYQIIBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.9
TPSA
66.4

LogP / Solubility

WLOGP
1.32
MLOGP
1.18
XLogP3
1.9
Consensus LogP
1.47
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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