CAS RN: 2245697-87-2
Thalidomide-NH-PEG2-C2-NH2 hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
- Product code: SSC-109681
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2245697-87-2 / 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
Basic Information
CAS
2245697-87-2
Multi CAS
No
Molecular Formula
C19H25ClN4O6
Molecular Weight
440.900000
Exact Mass
440.146262
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCN.Cl
InChI
InChI=1S/C19H24N4O6.ClH/c20-6-8-28-10-11-29-9-7-21-13-3-1-2-12-16(13)19(27)23(18(12)26)14-4-5-15(24)22-17(14)25;/h1-3,14,21H,4-11,20H2,(H,22,24,25);1H
InChIKey
BIBZEYIXXZHGNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
3
Molar refractivity
109.54
TPSA
140.06
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.05
XLogP3
-0.09
Consensus LogP
-0.08
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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