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CAS 33530-51-7 anti-1,2,2,3,4,4-Hexamethylphosphetane 1-Oxide molecular structure lightbox
CAS RN: 33530-51-7

anti-1,2,2,3,4,4-Hexamethylphosphetane 1-Oxide

  • Product code: SSC-139659
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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 33530-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

33530-51-7 / 1,2,2,3,4,4-hexamethyl-1lambda5-phosphetane 1-oxide

Standard CAS: 33530-51-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33530-51-7
Multi CAS
Yes
Molecular Formula
C9H19OP
Molecular Weight
174.220000
Exact Mass
174.117352
InChI
InChI=1S/C9H19OP/c1-7-8(2,3)11(6,10)9(7,4)5/h7H,1-6H3
InChIKey
VZDDSVNSOUGNBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
50.85
TPSA
17.07

LogP / Solubility

WLOGP
3.19
MLOGP
2.8
XLogP3
1.2
Consensus LogP
2.4
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-1.52

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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