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CAS 56875-38-8 tetraethyl (1,3-phenylenebis(methylene))bis(phosphonate) molecular structure lightbox
CAS RN: 56875-38-8

tetraethyl (1,3-phenylenebis(methylene))bis(phosphonate)

  • Product code: SSC-164908
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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 56875-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56875-38-8 / 1,3-bis(diethoxyphosphorylmethyl)benzene

Standard CAS: 56875-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56875-38-8
Multi CAS
No
Molecular Formula
C16H28O6P2
Molecular Weight
378.340000
Exact Mass
378.136113
InChI
InChI=1S/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-10-9-11-16(12-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey
RFNUIQLYFBCQNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
95.57
TPSA
71.06

LogP / Solubility

WLOGP
5.22
MLOGP
4.61
XLogP3
1.5
Consensus LogP
3.78
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
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
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

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

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