CAS RN: 2182602-15-7
N-(t-butyl ester-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.20250322 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2182602-15-7
- Purity/Analytical Methods: >99.0%
2182602-15-7 / tert-butyl 3-[2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2182602-15-7
Multi CAS
No
Molecular Formula
C29H57N7O11
Molecular Weight
679.800000
Exact Mass
679.411606
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C29H57N7O11/c1-29(2,3)47-28(37)4-10-38-16-22-44-25-19-41-13-7-36(8-14-42-20-26-45-23-17-39-11-5-32-34-30)9-15-43-21-27-46-24-18-40-12-6-33-35-31/h4-27H2,1-3H3
InChIKey
XBDDYUOODYDYTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.97
Rotatable bonds
36
H-bond acceptors
14
Molar refractivity
172.3
TPSA
210.13
LogP / Solubility
WLOGP
2.79
MLOGP
2.51
XLogP3
1.6
Consensus LogP
2.3
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.71
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
Yes
Log Kp (skin permeation)
-4.89
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)
