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CAS 306-52-5 triclofos molecular structure lightbox
CAS RN: 306-52-5

triclofos

  • Product code: SSC-135363
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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 306-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

306-52-5 / 2,2,2-trichloroethyl dihydrogen phosphate

Standard CAS: 306-52-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
306-52-5
Multi CAS
No
Molecular Formula
C2H4CL3O4P
Molecular Weight
229.380000
Exact Mass
227.891279
InChI
InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
InChIKey
YYQRGCZGSFRBAM-UHFFFAOYSA-N

Physical Properties

Appearance
WHITE OR ALMOST WHITE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.29
TPSA
66.76

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.3
Consensus LogP
1.02
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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