![CAS 2093536-13-9 Carbamic acid, N-[6-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]hexyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2093536-13-9.png)
CAS RN: 2093536-13-9
Carbamic acid, N-[6-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]hexyl]-, 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.20250417 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2093536-13-9
- Purity/Analytical Methods: >99.0%
2093536-13-9 / tert-butyl N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]carbamate
Basic Information
CAS
2093536-13-9
Multi CAS
No
Molecular Formula
C24H32N4O6
Molecular Weight
472.500000
Exact Mass
472.232185
SMILES
CC(C)(C)OC(=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C24H32N4O6/c1-24(2,3)34-23(33)26-14-7-5-4-6-13-25-16-10-8-9-15-19(16)22(32)28(21(15)31)17-11-12-18(29)27-20(17)30/h8-10,17,25H,4-7,11-14H2,1-3H3,(H,26,33)(H,27,29,30)
InChIKey
MYIJXYLTQWCASN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
124.31
TPSA
133.91
LogP / Solubility
WLOGP
2.58
MLOGP
2.31
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
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
Yes
Log Kp (skin permeation)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 2094737-51-4 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-[(trifluoromethyl)thio]-, 2,2-dioxide, (3aS,6R,7aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2094737-51-4.png)