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CAS 4223-14-7 1,3,5-tris(2,3-epoxypropoxy)benzene molecular structure lightbox
CAS RN: 4223-14-7

1,3,5-tris(2,3-epoxypropoxy)benzene

  • Product code: SSC-150564
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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 4223-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

4223-14-7 / 2-[[3,5-bis(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

Standard CAS: 4223-14-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4223-14-7
Multi CAS
Yes
Molecular Formula
C15H18O6
Molecular Weight
294.300000
Exact Mass
294.110338
InChI
InChI=1S/C15H18O6/c1-10(16-4-13-7-19-13)2-12(18-6-15-9-21-15)3-11(1)17-5-14-8-20-14/h1-3,13-15H,4-9H2
InChIKey
BWDQITNIYSXSON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
72.15
TPSA
65.28

LogP / Solubility

WLOGP
1.02
MLOGP
0.91
XLogP3
0.9
Consensus LogP
0.94
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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