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CAS 96892-57-8 hepsulfam molecular structure lightbox
CAS RN: 96892-57-8

hepsulfam

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS96892-57-8
  • Purity/Analytical Methods: >99.0%
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96892-57-8 / 7-sulfamoyloxyheptyl sulfamate

Standard CAS: 96892-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96892-57-8
Multi CAS
Yes
Molecular Formula
C7H18N2O6S2
Molecular Weight
290.400000
Exact Mass
290.060629
InChI
InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)
InChIKey
GOJJWDOZNKBUSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
61.2
TPSA
138.78

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.54
XLogP3
-0.3
Consensus LogP
-0.49
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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