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CAS 16352-18-4 4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide molecular structure lightbox
CAS RN: 16352-18-4

4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide

  • Product code: SSC-071034
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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 16352-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16352-18-4 / 4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide

Standard CAS: 16352-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16352-18-4
Multi CAS
No
Molecular Formula
C6H12O3P+
Molecular Weight
163.130000
Exact Mass
163.052406
SMILES
CC1(C(O[P+](=O)O1)(C)C)C
InChI
InChI=1S/C6H12O3P/c1-5(2)6(3,4)9-10(7)8-5/h1-4H3/q+1
InChIKey
MWVBQXVOGPKEII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
37.93
TPSA
35.53

LogP / Solubility

WLOGP
2.25
MLOGP
1.97
XLogP3
1
Consensus LogP
1.74
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.12

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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