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CAS 208987-04-6 m-PEG7-Azide molecular structure lightbox
CAS RN: 208987-04-6

m-PEG7-Azide

  • Product code: SSC-098416
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 208987-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

208987-04-6 / 1-azido-2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

Standard CAS: 208987-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208987-04-6
Multi CAS
No
Molecular Formula
C15H31N3O7
Molecular Weight
365.420000
Exact Mass
365.216200
SMILES
COCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H31N3O7/c1-19-4-5-21-8-9-23-12-13-25-15-14-24-11-10-22-7-6-20-3-2-17-18-16/h2-15H2,1H3
InChIKey
KKPCQLXBYKYWQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
8
Molar refractivity
90.8
TPSA
113.37

LogP / Solubility

WLOGP
1.04
MLOGP
0.94
XLogP3
0.1
Consensus LogP
0.69
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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