![CAS 898755-97-0 3′-BROMO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898755-97-0.gif)
CAS RN: 898755-97-0
3′-BROMO-2-[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.20260213 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898755-97-0
- Purity/Analytical Methods: >99.0%
898755-97-0 / (3-bromophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
Basic Information
CAS
898755-97-0
Multi CAS
No
Molecular Formula
BC21H22O3Rn
Molecular Weight
416.300000
Exact Mass
415.078310
InChI
InChI=1S/C21H22BrNO3/c22-18-6-3-5-16(14-18)20(24)19-7-2-1-4-17(19)15-23-10-8-21(9-11-23)25-12-13-26-21/h1-7,14H,8-13,15H2
InChIKey
GQNFLNQUCJMRDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
103.16
TPSA
38.77
LogP / Solubility
WLOGP
4.02
MLOGP
3.56
XLogP3
3.7
Consensus LogP
3.76
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
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)
-2.41
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 898755-99-2 4′-BROMO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)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′-BROMO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
- CAS RN: 898755-99-2
- Product Code: starshine_CAS898755-99-2
- Purity/Analytical method: >99.0%
-
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-FLUOROBENZOPHENONE
- CAS RN: 898756-04-2
- Product Code: starshine_CAS898756-04-2
- Purity/Analytical method: >99.0%
-
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4′-FLUOROBENZOPHENONE
- CAS RN: 898756-05-3
- Product Code: starshine_CAS898756-05-3
- Purity/Analytical method: >99.0%
-
4-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-FLUOROBENZOPHENONE
- CAS RN: 898756-19-9
- Product Code: starshine_CAS898756-19-9
- Purity/Analytical method: >99.0%
-
3-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
- CAS RN: 898756-20-2
- Product Code: starshine_CAS898756-20-2
- Purity/Analytical method: >99.0%
-
2-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
- CAS RN: 898756-22-4
- Product Code: starshine_CAS898756-22-4
- Purity/Analytical method: >99.0%
![CAS 898755-99-2 4′-BROMO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898755-99-2.gif)
![CAS 898756-04-2 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3′-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-04-2.gif)
![CAS 898756-05-3 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4′-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-05-3.gif)
![CAS 898756-19-9 4-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-19-9.gif)
![CAS 898756-20-2 3-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-20-2.gif)
![CAS 898756-22-4 2-CHLORO-2′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898756-22-4.gif)