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CAS 80077-72-1 DIETHYL (DIFLUORO(TRIMETHYLSILYL)METHYL) -PHOSPHONATE, 96 molecular structure lightbox
CAS RN: 80077-72-1

DIETHYL (DIFLUORO(TRIMETHYLSILYL)METHYL) -PHOSPHONATE, 96

  • Product code: SSC-189081
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80077-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 3 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

80077-72-1 / [diethoxyphosphoryl(difluoro)methyl]-trimethylsilane

Standard CAS: 80077-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80077-72-1
Multi CAS
No
Molecular Formula
C8F2H19O3PSi
Molecular Weight
260.290000
Exact Mass
260.080914
InChI
InChI=1S/C8H19F2O3PSi/c1-6-12-14(11,13-7-2)8(9,10)15(3,4)5/h6-7H2,1-5H3
InChIKey
AUYUSSHVQGGCCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
59.15
TPSA
35.53

LogP / Solubility

WLOGP
3.72
MLOGP
3.28
XLogP3
3.72
Consensus LogP
3.57
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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