![CAS 898756-27-9 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2′-TRIFLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-27-9.gif)
CAS RN: 898756-27-9
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2′-TRIFLUOROBENZOPHENONE
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.20260201 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898756-27-9
- Purity/Analytical Methods: >99.0%
898756-27-9 / [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-[2-(trifluoromethyl)phenyl]methanone
Basic Information
CAS
898756-27-9
Multi CAS
No
Molecular Formula
C22F3H22NO3
Molecular Weight
405.400000
Exact Mass
405.155178
InChI
InChI=1S/C22H22F3NO3/c23-22(24,25)19-8-4-3-7-18(19)20(27)17-6-2-1-5-16(17)15-26-11-9-21(10-12-26)28-13-14-29-21/h1-8H,9-15H2
InChIKey
XHEJIUAXSNMSRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
100.46
TPSA
38.77
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
3.9
Consensus LogP
3.99
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 898756-30-4 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-TRIFLUOROBENZOPHENONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-TRIFLUOROBENZOPHENONE
- CAS RN: 898756-30-4
- Product Code: starshine_CAS898756-30-4
- Purity/Analytical method: >99.0%
-
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4′-TRIFLUOROBENZOPHENONE
- CAS RN: 898756-33-7
- Product Code: starshine_CAS898756-33-7
- Purity/Analytical method: >99.0%
-
2-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
- CAS RN: 898756-39-3
- Product Code: starshine_CAS898756-39-3
- Purity/Analytical method: >99.0%
-
3-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-5-FLUOROBENZOPHENONE
- CAS RN: 898756-42-8
- Product Code: starshine_CAS898756-42-8
- Purity/Analytical method: >99.0%
-
4-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-FLUOROBENZOPHENONE
- CAS RN: 898756-45-1
- Product Code: starshine_CAS898756-45-1
- Purity/Analytical method: >99.0%
-
2,3-DICHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
- CAS RN: 898756-48-4
- Product Code: starshine_CAS898756-48-4
- Purity/Analytical method: >99.0%
![CAS 898756-30-4 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-TRIFLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-30-4.gif)
![CAS 898756-33-7 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4′-TRIFLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-33-7.gif)
![CAS 898756-39-3 2-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-39-3.gif)
![CAS 898756-42-8 3-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-5-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-42-8.gif)
![CAS 898756-45-1 4-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-45-1.gif)
![CAS 898756-48-4 2,3-DICHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-48-4.gif)