![CAS 82645-24-7 1,2-Bis[2-(2-formylphenoxy)ethoxy]ethane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/82645-24-7.gif)
CAS RN: 82645-24-7
1,2-Bis[2-(2-formylphenoxy)ethoxy]ethane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251011 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82645-24-7
- Purity/Analytical Methods: >99.0%
82645-24-7 / 2-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]benzaldehyde
Basic Information
CAS
82645-24-7
Multi CAS
Yes
Molecular Formula
C18H18O5
Molecular Weight
314.300000
Exact Mass
314.115424
InChI
InChI=1S/C20H22O6/c21-15-17-5-1-3-7-19(17)25-13-11-23-9-10-24-12-14-26-20-8-4-2-6-18(20)16-22/h1-8,15-16H,9-14H2
InChIKey
MPDQQVZJTVSSQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
85.47
TPSA
61.83
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.3
Consensus LogP
2.52
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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
No
Log Kp (skin permeation)
-2.66
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
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