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CAS 799-34-8 3-(1H,1H,7H-DODECAFLUOROHEPTYLOXY)-1,2-EPOXYPROPANE molecular structure lightbox
CAS RN: 799-34-8

3-(1H,1H,7H-DODECAFLUOROHEPTYLOXY)-1,2-EPOXYPROPANE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS799-34-8
  • Purity/Analytical Methods: >99.0%
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799-34-8 / 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane

Standard CAS: 799-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
799-34-8
Multi CAS
No
Molecular Formula
C10F12H8O2
Molecular Weight
388.150000
Exact Mass
388.033267
InChI
InChI=1S/C10H8F12O2/c11-5(12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-23-1-4-2-24-4/h4-5H,1-3H2
InChIKey
BUSYHRRDAMGPJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
51.3
TPSA
21.76

LogP / Solubility

WLOGP
3.84
MLOGP
3.4
XLogP3
4
Consensus LogP
3.75
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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