![CAS 2225148-52-5 Nonanoic acid, 9-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225148-52-5.gif)
CAS RN: 2225148-52-5
Nonanoic acid, 9-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-, 1,1-dimethylethyl ester
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.20250526 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225148-52-5
- Purity/Analytical Methods: >99.0%
2225148-52-5 / tert-butyl 9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoate
Basic Information
CAS
2225148-52-5
Multi CAS
No
Molecular Formula
C26H34N2O7
Molecular Weight
486.600000
Exact Mass
486.236601
SMILES
CC(C)(C)OC(=O)CCCCCCCCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C26H34N2O7/c1-26(2,3)35-21(30)13-8-6-4-5-7-9-16-34-19-12-10-11-17-22(19)25(33)28(24(17)32)18-14-15-20(29)27-23(18)31/h10-12,18H,4-9,13-16H2,1-3H3,(H,27,29,31)
InChIKey
XHFRZVFJJQOBAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.77
TPSA
119.08
LogP / Solubility
WLOGP
3.54
MLOGP
3.15
XLogP3
3.6
Consensus LogP
3.43
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
3-Chloro-5-bromo-6-methylphenylboronic acid
- CAS RN: 2225155-54-2
- Product Code: starshine_CAS2225155-54-2
- Purity/Analytical method: >99.0%
-
2-Fluoro-5-(tert-butyl)phenylboronic acid
- CAS RN: 2225155-59-7
- Product Code: starshine_CAS2225155-59-7
- Purity/Analytical method: >99.0%
-
2-Chloro-4-bromo-5-methylphenylboronic acid
- CAS RN: 2225155-64-4
- Product Code: starshine_CAS2225155-64-4
- Purity/Analytical method: >99.0%
-
(3-fluoro-5-(piperidin-1-yl)phenyl)boronic acid
- CAS RN: 2225155-90-6
- Product Code: starshine_CAS2225155-90-6
- Purity/Analytical method: >99.0%
-
-
4-Chloropyrimidine-5-boronic acid
- CAS RN: 2225169-12-8
- Product Code: starshine_CAS2225169-12-8
- Purity/Analytical method: >99.0%
