![CAS 2064-95-1 3,9-diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2064-95-1.gif)
CAS RN: 2064-95-1
3,9-diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250331 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2064-95-1
- Purity/Analytical Methods: >99.0%
2064-95-1 / 3,9-diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
Basic Information
CAS
2064-95-1
Multi CAS
No
Molecular Formula
C19H20O4
Molecular Weight
312.400000
Exact Mass
312.136159
SMILES
C1C2(COC(O1)C3=CC=CC=C3)COC(OC2)C4=CC=CC=C4
InChI
InChI=1S/C19H20O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
DZQLZCHEALBORZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
84.61
TPSA
36.92
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
2.6
Consensus LogP
3.04
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
