CAS RN: 1207714-69-9
N3-PEG9-CH2CH2NH2
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-022016
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1207714-69-9 / 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
Azido-PEG9-amine | N3-PEG9-CH2CH2NH2 | 29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-amine
Basic Information
CAS
1207714-69-9
Multi CAS
No
Molecular Formula
C20H42N4O9
Molecular Weight
482.600000
Exact Mass
482.295179
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N
InChI
InChI=1S/C20H42N4O9/c21-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-20-18-32-16-14-30-12-10-28-8-6-26-4-2-23-24-22/h1-21H2
InChIKey
QECAUUOGHAUEDJ-UHFFFAOYSA-N
Synonyms
Azido-PEG9-amine
N3-PEG9-CH2CH2NH2
29-azido-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-amine
MFCD30723241
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
29
H-bond acceptors
11
H-bond donors
1
Molar refractivity
120.44
TPSA
157.85
LogP / Solubility
WLOGP
0.4
MLOGP
0.39
XLogP3
-1.1
Consensus LogP
-0.1
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.61
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)
-5.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
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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