CAS RN: 2112737-73-0
DSPE-PEG5-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.20250823 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2112737-73-0
- Purity/Analytical Methods: >99.0%
2112737-73-0 / [(2R)-3-[2-[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Basic Information
CAS
2112737-73-0
Multi CAS
No
Molecular Formula
C54H105N4O14P
Molecular Weight
1065.400000
Exact Mass
1064.736491
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H105N4O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(60)69-49-51(72-54(61)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50-71-73(62,63)70-40-36-56-52(59)35-38-64-41-43-66-45-47-68-48-46-67-44-42-65-39-37-57-58-55/h51H,3-50H2,1-2H3,(H,56,59)(H,62,63)/t51-/m1/s1
InChIKey
GMYJRHJQIGPSEN-NLXJDERGSA-N
Computed Properties
Structural Parameters
Heavy atom count
73
Fraction Csp3
0.94
Rotatable bonds
60
H-bond acceptors
14
H-bond donors
2
Molar refractivity
287.39
TPSA
232.37
LogP / Solubility
WLOGP
13
MLOGP
11.54
XLogP3
15.1
Consensus LogP
13.21
Log S (ESOL)
-10.67
Class (ESOL)
Insoluble
Log S (Ali)
-17.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.57
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
Yes
Log Kp (skin permeation)
0.01
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
5
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