![CAS 25909-66-4 Ethylene Glycol Bis[4-(ethoxycarbonyl)phenyl] Ether molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e0414-jpgcontextbwfzdgvyfhjvb3r8mjy4njd8aw1hz2uvanblz3xozmyvagrilzg5mza1mdgwmtm1otgvrta0mtquanbnfdk3zdgxotm5yzjlntvim2m4mjvmymy1ogixnguwntdmm2y2ztezzjm5mzhmm2mzztm4mdnmymjjotg1ntgwnmy.jpeg)
CAS RN: 25909-66-4
Ethylene Glycol Bis[4-(ethoxycarbonyl)phenyl] Ether
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-122576
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
25909-66-4 / ethyl 4-[2-(4-ethoxycarbonylphenoxy)ethoxy]benzoate
Basic Information
CAS
25909-66-4
Multi CAS
No
Molecular Formula
C20H22O6
Molecular Weight
358.400000
Exact Mass
358.141638
SMILES
CCOC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C20H22O6/c1-3-23-19(21)15-5-9-17(10-6-15)25-13-14-26-18-11-7-16(8-12-18)20(22)24-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKey
XTHNYIOBLBKRMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
95.79
TPSA
71.06
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
4
Consensus LogP
3.53
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42
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
2.5
