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CAS 53296-64-3 N-METHYL-N-TRIMETHYLSILYLHEPTAFLUOROBUTYRAMIDE molecular structure lightbox
CAS RN: 53296-64-3

N-METHYL-N-TRIMETHYLSILYLHEPTAFLUOROBUTYRAMIDE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 1g In stock Shandong Inquiry
Batchno.20250207 1ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250817 5ml In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1ml In stock Inquiry
  • Product code: starshine_CAS53296-64-3
  • Purity/Analytical Methods: >99.0%
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53296-64-3 / 2,2,3,3,4,4,4-heptafluoro-N-methyl-N-trimethylsilylbutanamide

Standard CAS: 53296-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53296-64-3
Multi CAS
No
Molecular Formula
C8F7H12NOSi
Molecular Weight
299.260000
Exact Mass
299.057638
InChI
InChI=1S/C8H12F7NOSi/c1-16(18(2,3)4)5(17)6(9,10)7(11,12)8(13,14)15/h1-4H3
InChIKey
CMXKINNDZCNCEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
52.07
TPSA
20.31

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
3.11
Consensus LogP
2.99
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly 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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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