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CAS 1017789-46-6 DIETHYL [10-(DIETHOXYPHOSPHORYL)-ANTHRACEN-9-YL]PHOSPHONATE molecular structure lightbox
CAS RN: 1017789-46-6

DIETHYL [10-(DIETHOXYPHOSPHORYL)-ANTHRACEN-9-YL]PHOSPHONATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002803
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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 1017789-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1017789-46-6 / 9,10-bis(diethoxyphosphoryl)anthracene

Diethyl [10-(diethoxyphosphoryl)-anthracen-9-yl]phosphonate | 9,10-bis(diethoxyphosphoryl)anthracene | Tetraethyl anthracene-9,10-diylbis(phosphonate)

Standard CAS: 1017789-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1017789-46-6
Multi CAS
Yes
Molecular Formula
C22H28O6P2
Molecular Weight
450.400000
Exact Mass
450.136113
SMILES
CCOP(=O)(C1=C2C=CC=CC2=C(C3=CC=CC=C31)P(=O)(OCC)OCC)OCC
InChI
InChI=1S/C22H28O6P2/c1-5-25-29(23,26-6-2)21-17-13-9-11-15-19(17)22(20-16-12-10-14-18(20)21)30(24,27-7-3)28-8-4/h9-16H,5-8H2,1-4H3
InChIKey
AJEHGIBGTGZRJW-UHFFFAOYSA-N
Synonyms
Diethyl [10-(diethoxyphosphoryl)-anthracen-9-yl]phosphonate 9,10-bis(diethoxyphosphoryl)anthracene Tetraethyl anthracene-9,10-diylbis(phosphonate) MFCD09991665 C22H28O6P2

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
122.44
TPSA
71.06

LogP / Solubility

WLOGP
5.78
MLOGP
5.11
XLogP3
4.1
Consensus LogP
5
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37

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
2.5

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