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CAS 866-23-9 Diethyl (Trichloromethyl)phosphonate molecular structure lightbox
CAS RN: 866-23-9

Diethyl (Trichloromethyl)phosphonate

  • Product code: SSC-195777
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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: 25g
  • Available purity: ≥96%
  • 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 866-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥96% 0 Out of Stock Beijing Inquiry

866-23-9 / 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane

Standard CAS: 866-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
866-23-9
Multi CAS
No
Molecular Formula
C5H10CL3O3P
Molecular Weight
255.500000
Exact Mass
253.943314
InChI
InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey
RVAQSYWDOSHWGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
51.15
TPSA
35.53

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
2.2
Consensus LogP
2.98
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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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