![CAS 898755-80-1 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-METHOXY BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898755-80-1.gif)
CAS RN: 898755-80-1
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-METHOXY BENZOPHENONE
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.20260109 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898755-80-1
- Purity/Analytical Methods: >99.0%
898755-80-1 / [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(3-methoxyphenyl)methanone
Basic Information
CAS
898755-80-1
Multi CAS
No
Molecular Formula
C22H25NO4
Molecular Weight
367.400000
Exact Mass
367.178358
InChI
InChI=1S/C22H25NO4/c1-25-19-7-4-6-17(15-19)21(24)20-8-3-2-5-18(20)16-23-11-9-22(10-12-23)26-13-14-27-22/h2-8,15H,9-14,16H2,1H3
InChIKey
NMLBIGBGWGPZHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
102.01
TPSA
48
LogP / Solubility
WLOGP
3.27
MLOGP
2.89
XLogP3
3
Consensus LogP
3.05
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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