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CAS 66057-30-5 Poly(oxy-1,2-ethanediyl), .alpha.-phosphono-.omega.-(methylphenoxy)-, dipotassium salt molecular structure lightbox
CAS RN: 66057-30-5

Poly(oxy-1,2-ethanediyl), .alpha.-phosphono-.omega.-(methylphenoxy)-, dipotassium salt

  • Product code: SSC-175704
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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 66057-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

66057-30-5 / dipotassium;2-(3-methylphenoxy)ethyl phosphate

Standard CAS: 66057-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66057-30-5
Multi CAS
No
Molecular Formula
C9H11K2O5P
Molecular Weight
308.350000
Exact Mass
307.961823
InChI
InChI=1S/C9H13O5P.2K/c1-8-3-2-4-9(7-8)13-5-6-14-15(10,11)12;;/h2-4,7H,5-6H2,1H3,(H2,10,11,12);;/q;2*+1/p-2
InChIKey
BMDQYINOMFOOHD-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
50.23
TPSA
81.65

LogP / Solubility

WLOGP
-5.77
MLOGP
-5.07
XLogP3
-5.77
Consensus LogP
-5.54
Log S (ESOL)
1.95
Class (ESOL)
Highly soluble
Log S (Ali)
2.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.53
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-8.7

Drug-likeness / Medicinal Chemistry

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

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