![CAS 898762-46-4 CYCLOPROPYL 3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL KETONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898762-46-4.gif)
CAS RN: 898762-46-4
CYCLOPROPYL 3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL KETONE
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.20251130 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898762-46-4
- Purity/Analytical Methods: >99.0%
898762-46-4 / cyclopropyl-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
Basic Information
CAS
898762-46-4
Multi CAS
No
Molecular Formula
C18H23NO3
Molecular Weight
301.400000
Exact Mass
301.167794
InChI
InChI=1S/C18H23NO3/c20-17(15-4-5-15)16-3-1-2-14(12-16)13-19-8-6-18(7-9-19)21-10-11-22-18/h1-3,12,15H,4-11,13H2
InChIKey
URWSHSYKHWUMOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
82.64
TPSA
38.77
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
1.8
Consensus LogP
2.25
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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