![CAS 853347-01-0 Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/853347-01-0.gif)
CAS RN: 853347-01-0
Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxaldehyde
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.20250320 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS853347-01-0
- Purity/Analytical Methods: >99.0%
853347-01-0 / adamantane-1,3,5,7-tetracarbaldehyde
Basic Information
CAS
853347-01-0
Multi CAS
No
Molecular Formula
C14H16O4
Molecular Weight
248.270000
Exact Mass
248.104859
InChI
InChI=1S/C14H16O4/c15-7-11-1-12(8-16)4-13(2-11,9-17)6-14(3-11,5-12)10-18/h7-10H,1-6H2
InChIKey
BOVQUCZKSHKOLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
61.69
TPSA
68.28
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
-1.1
Consensus LogP
0.33
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-3.45
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
6
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