Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
2152679-71-3 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2152679-71-3
Multi CAS
No
Molecular Formula
C27H53N3O14
Molecular Weight
643.700000
Exact Mass
643.352753
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C27H53N3O14/c28-30-29-2-4-34-6-8-36-10-12-38-14-16-40-18-20-42-22-24-44-26-25-43-23-21-41-19-17-39-15-13-37-11-9-35-7-5-33-3-1-27(31)32/h1-26H2,(H,31,32)
InChIKey
DYFODOGACDHUBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Fraction Csp3
0.96
Rotatable bonds
39
H-bond acceptors
14
H-bond donors
1
Molar refractivity
156.09
TPSA
196.82
LogP / Solubility
WLOGP
0.97
MLOGP
0.91
XLogP3
-1.1
Consensus LogP
0.26
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.33
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)
-5.96
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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