![CAS 898757-84-1 4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-FLUOROBENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898757-84-1.gif)
CAS RN: 898757-84-1
4′-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3-FLUOROBENZOPHENONE
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.20250206 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898757-84-1
- Purity/Analytical Methods: >99.0%
898757-84-1 / [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-(3-fluorophenyl)methanone
Basic Information
CAS
898757-84-1
Multi CAS
No
Molecular Formula
C21FH22NO3
Molecular Weight
355.400000
Exact Mass
355.158372
InChI
InChI=1S/C21H22FNO3/c22-19-3-1-2-18(14-19)20(24)17-6-4-16(5-7-17)15-23-10-8-21(9-11-23)25-12-13-26-21/h1-7,14H,8-13,15H2
InChIKey
NMMSLWMXRGEUHH-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
95.42
TPSA
38.77
LogP / Solubility
WLOGP
3.4
MLOGP
3.01
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-2.48
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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