[email protected]
CAS 42977-21-9 BIS(1H,1H,2H,2H-PERFLUORODECYL)DISULFIDE molecular structure lightbox
CAS RN: 42977-21-9

BIS(1H,1H,2H,2H-PERFLUORODECYL)DISULFIDE

  • Product code: SSC-151281
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 42977-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

42977-21-9 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyldisulfanyl)decane

Standard CAS: 42977-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42977-21-9
Multi CAS
No
Molecular Formula
C20F34H8S2
Molecular Weight
958.400000
Exact Mass
957.952450
InChI
InChI=1S/C20H8F34S2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-55-56-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2
InChIKey
PFSDZNASIFXROJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Fraction Csp3
1
Rotatable bonds
19
H-bond acceptors
2
Molar refractivity
115.52
TPSA
50.6000

LogP / Solubility

WLOGP
13.17
MLOGP
11.68
XLogP3
13.2
Consensus LogP
12.68
Log S (ESOL)
-12.82
Class (ESOL)
Insoluble
Log S (Ali)
-16.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.78

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

Customers Also Viewed

Get In Touch

Contact Us