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CAS 28075-51-6 1-(trifluoromethylsulfonyloxy)cycloheptene molecular structure lightbox
CAS RN: 28075-51-6

1-(trifluoromethylsulfonyloxy)cycloheptene

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250607 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250503 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250218 25g Out of stock Inquiry
Batchno.20251229 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS28075-51-6
  • Purity/Analytical Methods: >99.0%
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28075-51-6 / cyclohepten-1-yl trifluoromethanesulfonate

Standard CAS: 28075-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28075-51-6
Multi CAS
No
Molecular Formula
C8F3H11O3S
Molecular Weight
244.230000
Exact Mass
244.038100
InChI
InChI=1S/C8H11F3O3S/c9-8(10,11)15(12,13)14-7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKey
NIHXETKTKWAKCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.23
TPSA
43.37

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
3.3
Consensus LogP
2.79
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

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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