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CAS 778-36-9 PENTAFLUOROBENZENESULPHONAMIDE molecular structure lightbox
CAS RN: 778-36-9

PENTAFLUOROBENZENESULPHONAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-187321
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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 778-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

778-36-9 / 2,3,4,5,6-pentafluorobenzenesulfonamide

Standard CAS: 778-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
778-36-9
Multi CAS
No
Molecular Formula
C6F5H2NO2S
Molecular Weight
247.140000
Exact Mass
246.972640
InChI
InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)
InChIKey
ZWVYQZBCSXCUOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.61
TPSA
60.16

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
0.4
Consensus LogP
0.78
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.5

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
1.5

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