CAS RN: 1957235-99-2
Thalidomide-O-C6-NH2 TFA
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-092567
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: ≥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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1957235-99-2 / 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Basic Information
CAS
1957235-99-2
Multi CAS
No
Molecular Formula
C21H24F3N3O7
Molecular Weight
487.400000
Exact Mass
487.156635
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C19H23N3O5.C2HF3O2/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24;3-2(4,5)1(6)7/h5-7,13H,1-4,8-11,20H2,(H,21,23,24);(H,6,7)
InChIKey
MSWDVCMWKADMFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
109.82
TPSA
156.1
LogP / Solubility
WLOGP
1.62
MLOGP
1.46
XLogP3
1.62
Consensus LogP
1.57
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1957236-36-0 4-[(8-Aminooctyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1957236-36-0.gif)
![CAS 1957278-93-1 2,4-Imidazolidinedione, 5-cyclopropyl-5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methyl-1-piperazinyl]-3-oxopropyl]-, (5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1957278-93-1.gif)
