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CAS 215181-72-9 1-Azido-2-(2-(2-ethoxyethoxy)ethoxy)ethane >=95% molecular structure lightbox
CAS RN: 215181-72-9

1-Azido-2-(2-(2-ethoxyethoxy)ethoxy)ethane >=95%

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251120 1g In stock Inquiry
Batchno.20250303 250mg In stock Inquiry
Batchno.20250909 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS215181-72-9
  • Purity/Analytical Methods: >99.0%
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215181-72-9 / 1-azido-2-[2-(2-ethoxyethoxy)ethoxy]ethane

Standard CAS: 215181-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215181-72-9
Multi CAS
No
Molecular Formula
C8H17N3O3
Molecular Weight
203.240000
Exact Mass
203.126991
SMILES
CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C8H17N3O3/c1-2-12-5-6-14-8-7-13-4-3-10-11-9/h2-8H2,1H3
InChIKey
QCKRVSYHRAABCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
52.14
TPSA
76.45

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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