CAS RN: 2112737-94-5
DSPE-PEG8-Mal
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.20260411 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2112737-94-5
- Purity/Analytical Methods: >99.0%
2112737-94-5 / [(2R)-3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Basic Information
CAS
2112737-94-5
Multi CAS
No
Molecular Formula
C64H119N2O19P
Molecular Weight
1251.600000
Exact Mass
1250.814467
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C64H119N2O19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-63(70)82-57-59(85-64(71)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-84-86(72,73)83-41-38-65-60(67)37-40-74-43-45-76-47-49-78-51-53-80-55-56-81-54-52-79-50-48-77-46-44-75-42-39-66-61(68)35-36-62(66)69/h35-36,59H,3-34,37-58H2,1-2H3,(H,65,67)(H,72,73)/t59-/m1/s1
InChIKey
DWLVJCKBUSIFBB-OBEXFZABSA-N
Computed Properties
Structural Parameters
Heavy atom count
86
Fraction Csp3
0.89
Rotatable bonds
69
H-bond acceptors
18
H-bond donors
2
Molar refractivity
331.7
TPSA
248.68
LogP / Solubility
WLOGP
11.66
MLOGP
10.39
XLogP3
13
Consensus LogP
11.68
Log S (ESOL)
-10.39
Class (ESOL)
Insoluble
Log S (Ali)
-18.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.76
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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