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CAS 376-04-5 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-Heptacosafluoro-13-iodotridecane molecular structure lightbox
CAS RN: 376-04-5

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-Heptacosafluoro-13-iodotridecane

  • Product code: SSC-145023
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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 376-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

376-04-5 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-heptacosafluoro-13-iodotridecane

Standard CAS: 376-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
376-04-5
Multi CAS
No
Molecular Formula
C13F27I
Molecular Weight
796.000000
Exact Mass
795.861360
InChI
InChI=1S/C13F27I/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41
InChIKey
DSXBFFPIBZRADQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
27
Molar refractivity
79.44
TPSA
0.0000

LogP / Solubility

WLOGP
9.56
MLOGP
8.49
XLogP3
10.1
Consensus LogP
9.38
Log S (ESOL)
-10.07
Class (ESOL)
Insoluble
Log S (Ali)
-12.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.09
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

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