CAS RN: 2148986-06-3
HS-PEG7-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.20250609 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2148986-06-3
- Purity/Analytical Methods: >99.0%
2148986-06-3 / 2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Basic Information
CAS
2148986-06-3
Multi CAS
No
Molecular Formula
C16H33N3O7S
Molecular Weight
411.500000
Exact Mass
411.203922
SMILES
C(COCCOCCOCCOCCOCCOCCOCCS)N=[N+]=[N-]
InChI
InChI=1S/C16H33N3O7S/c17-19-18-1-2-20-3-4-21-5-6-22-7-8-23-9-10-24-11-12-25-13-14-26-15-16-27/h27H,1-16H2
InChIKey
BQRHKQZCJWTUDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
1
Molar refractivity
103.6
TPSA
113.37
LogP / Solubility
WLOGP
1.34
MLOGP
1.21
XLogP3
0.4
Consensus LogP
0.98
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
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)
-4.28
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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