![CAS 5410-01-5 [ethane-1,2-diylbis(oxybenzene-4,1-diyl)]bis(phenylmethanone) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5410-01-5.gif)
CAS RN: 5410-01-5
[ethane-1,2-diylbis(oxybenzene-4,1-diyl)]bis(phenylmethanone)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250223 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5410-01-5
- Purity/Analytical Methods: >99.0%
5410-01-5 / [4-[2-(4-benzoylphenoxy)ethoxy]phenyl]-phenylmethanone
Basic Information
CAS
5410-01-5
Multi CAS
Yes
Molecular Formula
C28H22O4
Molecular Weight
422.500000
Exact Mass
422.151809
InChI
InChI=1S/C28H22O4/c29-27(21-7-3-1-4-8-21)23-11-15-25(16-12-23)31-19-20-32-26-17-13-24(14-18-26)28(30)22-9-5-2-6-10-22/h1-18H,19-20H2
InChIKey
KVVQXUIGQZPWLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
123.62
TPSA
52.6
LogP / Solubility
WLOGP
5.61
MLOGP
4.96
XLogP3
6.5
Consensus LogP
5.69
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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- CAS RN: 5407-61-4
- Product Code: starshine_CAS5407-61-4
- Purity/Analytical method: >99.0%
