CAS RN: 2509360-22-7
1H-Isoindole-1,3(2H)-dione, 4-(3-aminopropoxy)-2-(2,6-dioxo-3-piperidinyl)-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2509360-22-7
- Purity/Analytical Methods: >99.0%
2509360-22-7 / 4-(3-aminopropoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Basic Information
CAS
2509360-22-7
Multi CAS
No
Molecular Formula
C16H17N3O5
Molecular Weight
331.320000
Exact Mass
331.116821
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCN
InChI
InChI=1S/C16H17N3O5/c17-7-2-8-24-11-4-1-3-9-13(11)16(23)19(15(9)22)10-5-6-12(20)18-14(10)21/h1,3-4,10H,2,5-8,17H2,(H,18,20,21)
InChIKey
SRDWBGCPVRCTTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.28
TPSA
118.8
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.15
XLogP3
-0.3
Consensus LogP
-0.21
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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