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CAS 58943-98-9 HEXAKIS(2,2,3,3-TETRAFLUOROPROPOXY)PHOSPHAZINE molecular structure lightbox
CAS RN: 58943-98-9

HEXAKIS(2,2,3,3-TETRAFLUOROPROPOXY)PHOSPHAZINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS58943-98-9
  • Purity/Analytical Methods: >99.0%
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58943-98-9 / 2,2,4,4,6,6-hexakis(2,2,3,3-tetrafluoropropoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

Standard CAS: 58943-98-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58943-98-9
Multi CAS
Yes
Molecular Formula
C18F24H18N3O6P3
Molecular Weight
921.200000
Exact Mass
921.002522
InChI
InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2
InChIKey
WAVNXLRSYAMQNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
9
Molar refractivity
129.46
TPSA
92.46

LogP / Solubility

WLOGP
11.34
MLOGP
10.07
XLogP3
10
Consensus LogP
10.47
Log S (ESOL)
-11.11
Class (ESOL)
Insoluble
Log S (Ali)
-15.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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