![CAS 898757-37-4 4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-37-4.gif)
CAS RN: 898757-37-4
4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]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.20250107 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898757-37-4
- Purity/Analytical Methods: >99.0%
898757-37-4 / [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-phenylmethanone
Basic Information
CAS
898757-37-4
Multi CAS
No
Molecular Formula
C21H23NO3
Molecular Weight
337.400000
Exact Mass
337.167794
InChI
InChI=1S/C21H23NO3/c23-20(18-4-2-1-3-5-18)19-8-6-17(7-9-19)16-22-12-10-21(11-13-22)24-14-15-25-21/h1-9H,10-16H2
InChIKey
TWTIXYSEEBALDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
95.46
TPSA
38.77
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3
Consensus LogP
3.05
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 898757-40-9 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-METHYL BENZOPHENONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-METHYL BENZOPHENONE
- CAS RN: 898757-40-9
- Product Code: starshine_CAS898757-40-9
- Purity/Analytical method: >99.0%
-
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-METHYL BENZOPHENONE
- CAS RN: 898757-43-2
- Product Code: starshine_CAS898757-43-2
- Purity/Analytical method: >99.0%
-
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-METHYL BENZOPHENONE
- CAS RN: 898757-46-5
- Product Code: starshine_CAS898757-46-5
- Purity/Analytical method: >99.0%
-
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-METHOXY BENZOPHENONE
- CAS RN: 898757-49-8
- Product Code: starshine_CAS898757-49-8
- Purity/Analytical method: >99.0%
-
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-METHOXY BENZOPHENONE
- CAS RN: 898757-52-3
- Product Code: starshine_CAS898757-52-3
- Purity/Analytical method: >99.0%
-
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-METHOXY BENZOPHENONE
- CAS RN: 898757-55-6
- Product Code: starshine_CAS898757-55-6
- Purity/Analytical method: >99.0%
![CAS 898757-40-9 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-METHYL BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-40-9.gif)
![CAS 898757-43-2 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-METHYL BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-43-2.gif)
![CAS 898757-46-5 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-METHYL BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-46-5.gif)
![CAS 898757-49-8 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-METHOXY BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-49-8.gif)
![CAS 898757-52-3 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-METHOXY BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-52-3.gif)
![CAS 898757-55-6 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-METHOXY BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-55-6.gif)