![CAS 898781-29-8 ETHYL 6-[2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898781-29-8.gif)
CAS RN: 898781-29-8
ETHYL 6-[2-[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.20260208 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS898781-29-8
- Purity/Analytical Methods: >99.0%
898781-29-8 / ethyl 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-6-oxohexanoate
Basic Information
CAS
898781-29-8
Multi CAS
Yes
Molecular Formula
C22H31NO5
Molecular Weight
389.500000
Exact Mass
389.220223
InChI
InChI=1S/C22H31NO5/c1-2-26-21(25)10-6-5-9-20(24)19-8-4-3-7-18(19)17-23-13-11-22(12-14-23)27-15-16-28-22/h3-4,7-8H,2,5-6,9-17H2,1H3
InChIKey
SCXOYUXRBUANAC-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
Customers Also Viewed
-
![CAS 898781-32-3 ETHYL 7-[2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
ETHYL 7-[2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE
- CAS RN: 898781-32-3
- Product Code: starshine_CAS898781-32-3
- Purity/Analytical method: >99.0%
-
ETHYL 4-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-4-OXOBUTYRATE
- CAS RN: 898782-04-2
- Product Code: starshine_CAS898782-04-2
- Purity/Analytical method: >99.0%
-
ETHYL 5-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-5-OXOVALERATE
- CAS RN: 898782-07-5
- Product Code: starshine_CAS898782-07-5
- Purity/Analytical method: >99.0%
-
ETHYL 6-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-6-OXOHEXANOATE
- CAS RN: 898782-10-0
- Product Code: starshine_CAS898782-10-0
- Purity/Analytical method: >99.0%
-
ETHYL 7-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE
- CAS RN: 898782-13-3
- Product Code: starshine_CAS898782-13-3
- Purity/Analytical method: >99.0%
-
![CAS 898781-32-3 ETHYL 7-[2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898781-32-3.gif)
![CAS 898782-04-2 ETHYL 4-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-4-OXOBUTYRATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898782-04-2.gif)
![CAS 898782-07-5 ETHYL 5-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-5-OXOVALERATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898782-07-5.gif)
![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 898782-13-3 ETHYL 7-[4-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]PHENYL]-7-OXOHEPTANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898782-13-3.gif)
