![CAS 898755-94-7 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2′-THIOMETHYL BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898755-94-7.gif)
CAS RN: 898755-94-7
2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2′-THIOMETHYL 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.20260319 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898755-94-7
- Purity/Analytical Methods: >99.0%
898755-94-7 / [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
Basic Information
CAS
898755-94-7
Multi CAS
No
Molecular Formula
C22H25NO3S
Molecular Weight
383.500000
Exact Mass
383.155515
InChI
InChI=1S/C22H25NO3S/c1-27-20-9-5-4-8-19(20)21(24)18-7-3-2-6-17(18)16-23-12-10-22(11-13-23)25-14-15-26-22/h2-9H,10-16H2,1H3
InChIKey
LMMFPFMGPCUCNR-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
107.24
TPSA
38.77
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.6
Consensus LogP
3.7
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
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)
-2.23
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 898755-97-0 3′-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)
3′-BROMO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
- CAS RN: 898755-97-0
- Product Code: starshine_CAS898755-97-0
- Purity/Analytical method: >99.0%
-
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%
![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 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)