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CAS 2373-43-5 (4-CHLORO-PHENYL)-PHOSPHONIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 2373-43-5

(4-CHLORO-PHENYL)-PHOSPHONIC ACID DIETHYL ESTER

  • Product code: SSC-115313
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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 2373-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2373-43-5 / 1-chloro-4-diethoxyphosphorylbenzene

Standard CAS: 2373-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2373-43-5
Multi CAS
No
Molecular Formula
C10H14ClO3P
Molecular Weight
248.640000
Exact Mass
248.036909
SMILES
CCOP(=O)(C1=CC=C(C=C1)Cl)OCC
InChI
InChI=1S/C10H14ClO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey
UMDFLKHMFHZJRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
61.94
TPSA
35.53

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
2.4
Consensus LogP
2.83
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
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)
-1.94

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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