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CAS 4167-02-6 (2-BROMOETHYL)-PHOSPHORYLCHLORIDE molecular structure lightbox
CAS RN: 4167-02-6

(2-BROMOETHYL)-PHOSPHORYLCHLORIDE

  • Product code: SSC-150054
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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 4167-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4167-02-6 / 1-bromo-2-dichlorophosphoryloxyethane

Standard CAS: 4167-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4167-02-6
Multi CAS
No
Molecular Formula
C2H4BRCL2O2P
Molecular Weight
241.830000
Exact Mass
239.850930
InChI
InChI=1S/C2H4BrCl2O2P/c3-1-2-7-8(4,5)6/h1-2H2
InChIKey
NYKRTKYIPKOPLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
39.06
TPSA
26.3

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
1.8
Consensus LogP
2.47
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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