CAS RN: 1449390-11-7
HS-PEG5-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.20260122 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1449390-11-7
- Purity/Analytical Methods: >99.0%
1449390-11-7 / 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Basic Information
CAS
1449390-11-7
Multi CAS
No
Molecular Formula
C12H25N3O5S
Molecular Weight
323.410000
Exact Mass
323.151492
SMILES
C(COCCOCCOCCOCCOCCS)N=[N+]=[N-]
InChI
InChI=1S/C12H25N3O5S/c13-15-14-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21/h21H,1-12H2
InChIKey
MQFXZXQEEWQBLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
81.96
TPSA
94.91
LogP / Solubility
WLOGP
1.31
MLOGP
1.17
XLogP3
0.7
Consensus LogP
1.06
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.89
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)
-3.76
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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