![CAS 79421-40-2 4-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)BENZENECARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/79421-40-2.gif)
CAS RN: 79421-40-2
4-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)BENZENECARBALDEHYDE
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.20250719 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS79421-40-2
- Purity/Analytical Methods: >99.0%
79421-40-2 / 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzaldehyde
Basic Information
CAS
79421-40-2
Multi CAS
No
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
InChI
InChI=1S/C14H17NO3/c16-11-12-1-3-13(4-2-12)15-7-5-14(6-8-15)17-9-10-18-14/h1-4,11H,5-10H2
InChIKey
NBKIWJFERFYECA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.91
TPSA
38.77
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.92
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
2.5
