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CAS 19920-00-4 1,1,2,2-Tetrakis(4-methoxyphenyl)-1,2-ethanediol molecular structure lightbox
CAS RN: 19920-00-4

1,1,2,2-Tetrakis(4-methoxyphenyl)-1,2-ethanediol

  • Product code: SSC-093798
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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: ≥96%
  • 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 19920-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Shanghai Inquiry

19920-00-4 / 1,1,2,2-tetrakis(4-methoxyphenyl)ethane-1,2-diol

Standard CAS: 19920-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19920-00-4
Multi CAS
No
Molecular Formula
C30H30O6
Molecular Weight
486.600000
Exact Mass
486.204239
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)OC)O)O
InChI
InChI=1S/C30H30O6/c1-33-25-13-5-21(6-14-25)29(31,22-7-15-26(34-2)16-8-22)30(32,23-9-17-27(35-3)18-10-23)24-11-19-28(36-4)20-12-24/h5-20,31-32H,1-4H3
InChIKey
GJSYWZLTIIFQTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
137.97
TPSA
77.38

LogP / Solubility

WLOGP
4.89
MLOGP
4.34
XLogP3
4.8
Consensus LogP
4.68
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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