![CAS 898762-64-6 ETHYL 6-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898762-64-6.gif)
CAS RN: 898762-64-6
ETHYL 6-[3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE
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.20251225 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898762-64-6
- Purity/Analytical Methods: >99.0%
898762-64-6 / ethyl 6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-6-oxohexanoate
Basic Information
CAS
898762-64-6
Multi CAS
No
Molecular Formula
C22H31NO5
Molecular Weight
389.500000
Exact Mass
389.220223
InChI
InChI=1S/C22H31NO5/c1-2-26-21(25)9-4-3-8-20(24)19-7-5-6-18(16-19)17-23-12-10-22(11-13-23)27-14-15-28-22/h5-7,16H,2-4,8-15,17H2,1H3
InChIKey
GYVCNVDGTHUSPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
105.02
TPSA
65.07
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
2.2
Consensus LogP
2.83
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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