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CAS 20445-88-9 Tributyl(methyl)phosphonium Dimethyl Phosphate molecular structure lightbox
CAS RN: 20445-88-9

Tributyl(methyl)phosphonium Dimethyl Phosphate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 100g In stock Shanghai Inquiry
Batchno.20250826 1kg In stock Shanghai Inquiry
Batchno.20260408 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250907 500g In stock Shanghai Inquiry
Batchno.20250924 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-096185
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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: 100g
  • Available purity: ＞97%
  • 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 20445-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

20445-88-9 / dimethyl phosphate;tributyl(methyl)phosphanium

Standard CAS: 20445-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20445-88-9
Multi CAS
No
Molecular Formula
C15H36O4P2
Molecular Weight
342.390000
Exact Mass
342.208884
SMILES
CCCC[P+](C)(CCCC)CCCC.COP(=O)([O-])OC
InChI
InChI=1S/C13H30P.C2H7O4P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5-7(3,4)6-2/h5-13H2,1-4H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKey
LSDYBCGXPCFFNM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
93.79
TPSA
58.59

LogP / Solubility

WLOGP
4.78
MLOGP
4.22
XLogP3
4.78
Consensus LogP
4.59
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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