CAS RN: 890016-39-4
Lipoamido-PEG3-Azide
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.20250802 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS890016-39-4
- Purity/Analytical Methods: >99.0%
890016-39-4 / N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-5-(dithiolan-3-yl)pentanamide
Basic Information
CAS
890016-39-4
Multi CAS
No
Molecular Formula
C16H30N4O4S2
Molecular Weight
406.600000
Exact Mass
406.170848
InChI
InChI=1S/C16H30N4O4S2/c17-20-19-7-9-23-11-13-24-12-10-22-8-6-18-16(21)4-2-1-3-15-5-14-25-26-15/h15H,1-14H2,(H,18,21)
InChIKey
QRVGYUXHOQKUHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.94
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
106.4
TPSA
105.55
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
1.9
Consensus LogP
2.63
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
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
Yes
Log Kp (skin permeation)
-2.94
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
3
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