![CAS 2225940-49-6 6-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225940-49-6.gif)
CAS RN: 2225940-49-6
6-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]hexanoic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-107278
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2225940-49-6 / 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoic acid
Basic Information
CAS
2225940-49-6
Multi CAS
No
Molecular Formula
C19H21N3O6
Molecular Weight
387.400000
Exact Mass
387.143035
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCC(=O)O
InChI
InChI=1S/C19H21N3O6/c23-14-9-8-13(17(26)21-14)22-18(27)11-5-4-6-12(16(11)19(22)28)20-10-3-1-2-7-15(24)25/h4-6,13,20H,1-3,7-10H2,(H,24,25)(H,21,23,26)
InChIKey
FOHDGJCYBZWKCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
97.71
TPSA
132.88
LogP / Solubility
WLOGP
1.14
MLOGP
1.03
XLogP3
1.4
Consensus LogP
1.19
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 2225940-50-9 Heptanoic acid, 7-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Heptanoic acid, 7-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-
- CAS RN: 2225940-50-9
- Product Code: SSC-107279
-
Octanoic acid, 8-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-
- CAS RN: 2225940-51-0
- Product Code: SSC-107280
-
E3 Ligase Ligand-Linker Conjugates 22
- CAS RN: 2225940-52-1
- Product Code: starshine_CAS2225940-52-1
- Purity/Analytical method: >99.0%
-
Spiro[9H-fluorene-9,9′-[9H]xanthene], 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 2225963-98-2
- Product Code: SSC-107282
-
Dibenzofuran, 4-iodo-6-phenyl-
- CAS RN: 2226031-12-3
- Product Code: starshine_CAS2226031-12-3
- Purity/Analytical method: >99.0%
-
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-(2-propyn-1-yloxy)-
- CAS RN: 2226303-74-6
- Product Code: SSC-107311
![CAS 2225940-50-9 Heptanoic acid, 7-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225940-50-9.gif)
![CAS 2225940-51-0 Octanoic acid, 8-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225940-51-0.gif)
![CAS 2225963-98-2 Spiro[9H-fluorene-9,9′-[9H]xanthene], 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225963-98-2.gif)
