CAS RN: 1204834-00-3
Azido-PEG8-NHS ester
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-021513
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1204834-00-3 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Azido-PEG8-NHS ester | MFCD13184949 | 1-Azido-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid succinimidyl ester
Basic Information
CAS
1204834-00-3
Multi CAS
Yes
Molecular Formula
C23H40N4O12
Molecular Weight
564.600000
Exact Mass
564.264273
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H40N4O12/c24-26-25-4-6-32-8-10-34-12-14-36-16-18-38-20-19-37-17-15-35-13-11-33-9-7-31-5-3-23(30)39-27-21(28)1-2-22(27)29/h1-20H2
InChIKey
AZXJVYAMFTUKFC-UHFFFAOYSA-N
Synonyms
Azido-PEG8-NHS ester
MFCD13184949
1-Azido-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid succinimidyl ester
2,5-DIOXOPYRROLIDIN-1-YL 1-AZIDO-3,6,9,12,15,18,21,24-OCTAOXAHEPTACOSAN-27-OATE
N3-PEG8-CH2CH2COONHS
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.87
Rotatable bonds
28
H-bond acceptors
13
Molar refractivity
132.36
TPSA
186.28
LogP / Solubility
WLOGP
0.43
MLOGP
0.42
XLogP3
-1.1
Consensus LogP
-0.08
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.04
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.86
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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