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CAS 28036-11-5 DIETHYL-2-ETHOXYARBONYLPHENYLPHOSPHONATE molecular structure lightbox
CAS RN: 28036-11-5

DIETHYL-2-ETHOXYARBONYLPHENYLPHOSPHONATE

  • Product code: SSC-128642
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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: 5g
  • 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 28036-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

28036-11-5 / ethyl 2-diethoxyphosphorylbenzoate

Standard CAS: 28036-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28036-11-5
Multi CAS
Yes
Molecular Formula
C13H19O5P
Molecular Weight
286.260000
Exact Mass
286.097011
InChI
InChI=1S/C13H19O5P/c1-4-16-13(14)11-9-7-8-10-12(11)19(15,17-5-2)18-6-3/h7-10H,4-6H2,1-3H3
InChIKey
GXUQRIOAGWXPJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
72.89
TPSA
61.83

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2
Consensus LogP
2.39
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.65
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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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