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CAS 19430-76-3 p-bromophenyl phosphorodichloridate molecular structure lightbox
CAS RN: 19430-76-3

p-bromophenyl phosphorodichloridate

  • Product code: SSC-091722
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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 19430-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

19430-76-3 / 1-bromo-4-dichlorophosphoryloxybenzene

Standard CAS: 19430-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19430-76-3
Multi CAS
No
Molecular Formula
C6H4BrCl2O2P
Molecular Weight
289.880000
Exact Mass
287.850930
SMILES
C1=CC(=CC=C1OP(=O)(Cl)Cl)Br
InChI
InChI=1S/C6H4BrCl2O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKey
PKNUXPMVXYHORS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.08
TPSA
26.3

LogP / Solubility

WLOGP
4.41
MLOGP
3.89
XLogP3
3.5
Consensus LogP
3.93
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.35

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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