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CAS 1262446-14-9 10:2 FTOH Sulfate PotassiuM Salt molecular structure lightbox
CAS RN: 1262446-14-9

10:2 FTOH Sulfate PotassiuM Salt

  • Product code: SSC-033208
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1262446-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1262446-14-9 / potassium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl sulfate

Standard CAS: 1262446-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262446-14-9
Multi CAS
No
Molecular Formula
C12H4F21KO4S
Molecular Weight
682.290000
Exact Mass
681.913203
SMILES
C(COS(=O)(=O)[O-])C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+]
InChI
InChI=1S/C12H5F21O4S.K/c13-3(14,1-2-37-38(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33;/h1-2H2,(H,34,35,36);/q;+1/p-1
InChIKey
APYGSQQZJHVGKH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
70.84
TPSA
66.43

LogP / Solubility

WLOGP
3.14
MLOGP
2.82
XLogP3
3.14
Consensus LogP
3.03
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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