CAS RN: 2182602-16-8
N-(NHS-PEG3)-N-bis(PEG3-azide)
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.20251116 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2182602-16-8
- Purity/Analytical Methods: >99.0%
2182602-16-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2182602-16-8
Multi CAS
No
Molecular Formula
C29H52N8O13
Molecular Weight
720.800000
Exact Mass
720.365384
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C29H52N8O13/c30-34-32-4-10-42-16-22-48-25-19-45-13-7-36(8-14-46-20-26-49-23-17-43-11-5-33-35-31)6-12-44-18-24-47-21-15-41-9-3-29(40)50-37-27(38)1-2-28(37)39/h1-26H2
InChIKey
KTZGSTOKLAFFIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Fraction Csp3
0.9
Rotatable bonds
37
H-bond acceptors
16
Molar refractivity
173.63
TPSA
247.51
LogP / Solubility
WLOGP
1.06
MLOGP
0.99
XLogP3
-0.3
Consensus LogP
0.58
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.37
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2182671-16-3 8H-Indeno[1,2-d]oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[3a,8a-dihydro-, (3aR,3’aR,8aS,8’aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2182671-16-3.png)
