CAS RN: 217180-81-9
N3-PEG5-CH2COOH
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250311 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-104640
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 | Shenzhen | Inquiry |
217180-81-9 / 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Basic Information
CAS
217180-81-9
Multi CAS
No
Molecular Formula
C12H23N3O7
Molecular Weight
321.330000
Exact Mass
321.153600
SMILES
C(COCCOCCOCCOCCOCC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C12H23N3O7/c13-15-14-1-2-18-3-4-19-5-6-20-7-8-21-9-10-22-11-12(16)17/h1-11H2,(H,16,17)
InChIKey
CEACGPKHPWXRQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.92
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
75.74
TPSA
132.21
LogP / Solubility
WLOGP
0.46
MLOGP
0.42
Consensus LogP
0.29
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.17
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)
-4.35
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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