![CAS 2435720-04-8 5,8-Dioxa-2,11-diazaheptadecanoic acid, 17-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-12,17-dioxo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2435720-04-8.gif)
CAS RN: 2435720-04-8
5,8-Dioxa-2,11-diazaheptadecanoic acid, 17-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-12,17-dioxo-, 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.20250526 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2435720-04-8
- Purity/Analytical Methods: >99.0%
2435720-04-8 / tert-butyl N-[2-[2-[2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexanoyl]amino]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
2435720-04-8
Multi CAS
No
Molecular Formula
C30H41N5O10
Molecular Weight
631.700000
Exact Mass
631.285343
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCCCC(=O)NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C30H41N5O10/c1-30(2,3)45-29(42)32-14-16-44-18-17-43-15-13-31-22(36)9-4-5-10-23(37)33-20-8-6-7-19-25(20)28(41)35(27(19)40)21-11-12-24(38)34-26(21)39/h6-8,21H,4-5,9-18H2,1-3H3,(H,31,36)(H,32,42)(H,33,37)(H,34,38,39)
InChIKey
PLPFXMANEVIMMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
4
Molar refractivity
159.1
TPSA
198.54
LogP / Solubility
WLOGP
1.26
MLOGP
1.16
XLogP3
0.2
Consensus LogP
0.87
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
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)
-5.68
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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