CAS RN: 2395004-21-2
BocNH-PEG11-CH2CH2N3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-116905
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 |
2395004-21-2 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
2395004-21-2
Multi CAS
No
Molecular Formula
C29H58N4O13
Molecular Weight
670.800000
Exact Mass
670.400038
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C29H58N4O13/c1-29(2,3)46-28(34)31-4-6-35-8-10-37-12-14-39-16-18-41-20-22-43-24-26-45-27-25-44-23-21-42-19-17-40-15-13-38-11-9-36-7-5-32-33-30/h4-27H2,1-3H3,(H,31,34)
InChIKey
JGWSHTKKDWKMAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Fraction Csp3
0.97
Rotatable bonds
36
H-bond acceptors
14
H-bond donors
1
Molar refractivity
167.26
TPSA
188.62
LogP / Solubility
WLOGP
2
MLOGP
1.82
XLogP3
0.2
Consensus LogP
1.34
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.39
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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