![CAS 192569-49-6 2,2’-[[2-(Allyloxy)-1,3-phenylene]bis(methylene)]bis(oxirane) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/192569-49-6.gif)
CAS RN: 192569-49-6
2,2’-[[2-(Allyloxy)-1,3-phenylene]bis(methylene)]bis(oxirane)
- Product code: SSC-090084
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
192569-49-6 / 2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane
Basic Information
CAS
192569-49-6
Multi CAS
No
Molecular Formula
C15H18O3
Molecular Weight
246.300000
Exact Mass
246.125594
SMILES
C=CCOC1=C(C=CC=C1CC2CO2)CC3CO3
InChI
InChI=1S/C15H18O3/c1-2-6-16-15-11(7-13-9-17-13)4-3-5-12(15)8-14-10-18-14/h2-5,13-14H,1,6-10H2
InChIKey
DGKRDMYSJQOARX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
69.02
TPSA
34.29
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.4
Consensus LogP
2.14
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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