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CAS 53121-39-4 Dichlorophosphinic acid hexyl ester molecular structure lightbox
CAS RN: 53121-39-4

Dichlorophosphinic acid hexyl ester

  • Product code: SSC-160331
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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 53121-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

53121-39-4 / 1-dichlorophosphoryloxyhexane

Standard CAS: 53121-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53121-39-4
Multi CAS
No
Molecular Formula
C6H13CL2O2P
Molecular Weight
219.040000
Exact Mass
218.003022
InChI
InChI=1S/C6H13Cl2O2P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKey
DSALCQNSJMUGOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
49.41
TPSA
26.3

LogP / Solubility

WLOGP
4.17
MLOGP
3.67
XLogP3
3.3
Consensus LogP
3.71
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.1

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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