CAS RN: 1433996-86-1
Azido-PEG5-NHS ester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-054790
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1433996-86-1 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1433996-86-1
Multi CAS
No
Molecular Formula
C17H28N4O9
Molecular Weight
432.400000
Exact Mass
432.185628
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C17H28N4O9/c18-20-19-4-6-26-8-10-28-12-14-29-13-11-27-9-7-25-5-3-17(24)30-21-15(22)1-2-16(21)23/h1-14H2
InChIKey
UBITXOFSGXNPBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.82
Rotatable bonds
19
H-bond acceptors
10
Molar refractivity
99.9
TPSA
158.59
LogP / Solubility
WLOGP
0.38
MLOGP
0.36
XLogP3
-0.7
Consensus LogP
0.01
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
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)
-5.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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