CAS RN: 2376990-29-1
Thalidomide-linker 9
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-115597
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: 0.1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2376990-29-1 / 4-(4-aminobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
Basic Information
CAS
2376990-29-1
Multi CAS
No
Molecular Formula
C17H20ClN3O5
Molecular Weight
381.800000
Exact Mass
381.109148
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCN.Cl
InChI
InChI=1S/C17H19N3O5.ClH/c18-8-1-2-9-25-12-5-3-4-10-14(12)17(24)20(16(10)23)11-6-7-13(21)19-15(11)22;/h3-5,11H,1-2,6-9,18H2,(H,19,21,22);1H
InChIKey
VRXZGWPQXJYEPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
94.15
TPSA
118.8
LogP / Solubility
WLOGP
0.63
MLOGP
0.57
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-4.6
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
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Spiro[benzofuran-2(3H),4′-piperidin]-3-amine, 1′-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-, (3R)-
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![CAS 2377352-49-1 Spiro[benzofuran-2(3H),4′-piperidin]-3-amine, 1′-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-, (3R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377352-49-1.gif)