![CAS 2435808-02-7 Carbamic acid, N-[6-[[6-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-1,6-dioxohexyl]amino]hexyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2435808-02-7.gif)
CAS RN: 2435808-02-7
Carbamic acid, N-[6-[[6-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-1,6-dioxohexyl]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.20250518 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2435808-02-7
- Purity/Analytical Methods: >99.0%
2435808-02-7 / tert-butyl N-[6-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexanoyl]amino]hexyl]carbamate
Basic Information
CAS
2435808-02-7
Multi CAS
No
Molecular Formula
C30H41N5O8
Molecular Weight
599.700000
Exact Mass
599.295513
SMILES
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCCC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C30H41N5O8/c1-30(2,3)43-29(42)32-18-9-5-4-8-17-31-22(36)13-6-7-14-23(37)33-20-12-10-11-19-25(20)28(41)35(27(19)40)21-15-16-24(38)34-26(21)39/h10-12,21H,4-9,13-18H2,1-3H3,(H,31,36)(H,32,42)(H,33,37)(H,34,38,39)
InChIKey
QYRMZFOSCLMHJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
4
Molar refractivity
155.93
TPSA
180.08
LogP / Solubility
WLOGP
2.79
MLOGP
2.5
XLogP3
1.9
Consensus LogP
2.4
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
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
Yes
Log Kp (skin permeation)
-4.4
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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![CAS 2436762-87-5 1-Pentanone, 2-amino-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-, (2R)-rel-, 2,2,2-trifluoroacetate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2436762-87-5.gif)
