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CAS 70609-44-8 Bis(perfluorohexyl)phosphinic Acid SodiuM Salt molecular structure lightbox
CAS RN: 70609-44-8

Bis(perfluorohexyl)phosphinic Acid SodiuM Salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS70609-44-8
  • Purity/Analytical Methods: >99.0%
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70609-44-8 / sodium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phosphinate

Standard CAS: 70609-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70609-44-8
Multi CAS
No
Molecular Formula
C12F26NAO2P
Molecular Weight
724.050000
Exact Mass
723.911843
InChI
InChI=1S/C12HF26O2P.Na/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)41(39,40)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34;/h(H,39,40);/q;+1/p-1
InChIKey
KJVRYSHRRDRBEW-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
69.19
TPSA
40.13

LogP / Solubility

WLOGP
5.02
MLOGP
4.48
XLogP3
5.02
Consensus LogP
4.84
Log S (ESOL)
-6.83
Class (ESOL)
Insoluble
Log S (Ali)
-9.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.73
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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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