![CAS 1950635-34-3 Carbamic acid, N-[8-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]octyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1950635-34-3.gif)
CAS RN: 1950635-34-3
Carbamic acid, N-[8-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]octyl]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1950635-34-3
- Purity/Analytical Methods: >99.0%
1950635-34-3 / tert-butyl N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]carbamate
Basic Information
CAS
1950635-34-3
Multi CAS
No
Molecular Formula
C28H38N4O8
Molecular Weight
558.600000
Exact Mass
558.268964
SMILES
CC(C)(C)OC(=O)NCCCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C28H38N4O8/c1-28(2,3)40-27(38)30-16-9-7-5-4-6-8-15-29-22(34)17-39-20-12-10-11-18-23(20)26(37)32(25(18)36)19-13-14-21(33)31-24(19)35/h10-12,19H,4-9,13-17H2,1-3H3,(H,29,34)(H,30,38)(H,31,33,35)
InChIKey
XXKJVZKHWPVYMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
3
Molar refractivity
143.56
TPSA
160.21
LogP / Solubility
WLOGP
2.45
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble
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)
-4.39
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
4.5
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