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CAS 58983-20-3 (2,4-DIMETHYL-PHENYL)-PHOSPHONIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 58983-20-3

(2,4-DIMETHYL-PHENYL)-PHOSPHONIC ACID DIETHYL ESTER

  • Product code: SSC-167334
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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 58983-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

58983-20-3 / 1-diethoxyphosphoryl-2,4-dimethylbenzene

Standard CAS: 58983-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58983-20-3
Multi CAS
No
Molecular Formula
C12H19O3P
Molecular Weight
242.250000
Exact Mass
242.107181
InChI
InChI=1S/C12H19O3P/c1-5-14-16(13,15-6-2)12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3
InChIKey
GXGVNACBXUBUIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
66.41
TPSA
35.53

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
2.5
Consensus LogP
2.84
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
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)
-1.93

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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