CAS RN: 2520107-65-5
(S)-3-(1-Oxo-5-(piperazin-1-yl)isoindolin-2-yl)piperidine-2,6-dione hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2520107-65-5
- Purity/Analytical Methods: >99.0%
2520107-65-5 / (3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
Basic Information
CAS
2520107-65-5
Multi CAS
No
Molecular Formula
C17H21ClN4O3
Molecular Weight
364.800000
Exact Mass
364.130218
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)N4CCNCC4.Cl
InChI
InChI=1S/C17H20N4O3.ClH/c22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;/h1-2,9,14,18H,3-8,10H2,(H,19,22,23);1H/t14-;/m0./s1
InChIKey
CRHGKGZERJKUDG-UQKRIMTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
94.82
TPSA
81.75
LogP / Solubility
WLOGP
0.28
MLOGP
0.27
XLogP3
0.28
Consensus LogP
0.28
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-4.75
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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