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CAS 382-97-8 N,N-Diethylsulfamoyl fluoride molecular structure lightbox
CAS RN: 382-97-8

N,N-Diethylsulfamoyl fluoride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS382-97-8
  • Purity/Analytical Methods: >99.0%
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382-97-8 / N,N-diethylsulfamoyl fluoride

Standard CAS: 382-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
382-97-8
Multi CAS
No
Molecular Formula
C4FH10NO2S
Molecular Weight
155.190000
Exact Mass
155.041628
InChI
InChI=1S/C4H10FNO2S/c1-3-6(4-2)9(5,7)8/h3-4H2,1-2H3
InChIKey
AILVSTFKSUSWNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
32.95
TPSA
37.38

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.8
Consensus LogP
0.6
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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