CAS RN: 2148986-08-5
HS-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.20260402 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2148986-08-5
- Purity/Analytical Methods: >99.0%
2148986-08-5 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Basic Information
CAS
2148986-08-5
Multi CAS
No
Molecular Formula
C24H49N3O11S
Molecular Weight
587.700000
Exact Mass
587.308781
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS)N=[N+]=[N-]
InChI
InChI=1S/C24H49N3O11S/c25-27-26-1-2-28-3-4-29-5-6-30-7-8-31-9-10-32-11-12-33-13-14-34-15-16-35-17-18-36-19-20-37-21-22-38-23-24-39/h39H,1-24H2
InChIKey
RKGIMXYCNVQGSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
35
H-bond acceptors
13
H-bond donors
1
Molar refractivity
146.87
TPSA
150.29
LogP / Solubility
WLOGP
1.41
MLOGP
1.29
XLogP3
-0.2
Consensus LogP
0.83
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.85
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)
-5.3
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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