![CAS 898782-10-0 ETHYL 6-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898782-10-0.gif)
CAS RN: 898782-10-0
ETHYL 6-[4-[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.20260331 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898782-10-0
- Purity/Analytical Methods: >99.0%
898782-10-0 / ethyl 6-[4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)phenyl]-6-oxohexanoate
Basic Information
CAS
898782-10-0
Multi CAS
Yes
Molecular Formula
C23H32O5
Molecular Weight
388.500000
Exact Mass
388.224974
InChI
InChI=1S/C23H32O5/c1-2-26-22(25)6-4-3-5-21(24)20-9-7-18(8-10-20)17-19-11-13-23(14-12-19)27-15-16-28-23/h7-10,19H,2-6,11-17H2,1H3
InChIKey
RSXOYIVGMGIFBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
106.17
TPSA
61.83
LogP / Solubility
WLOGP
4.47
MLOGP
3.95
XLogP3
3.6
Consensus LogP
4.01
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
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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