![CAS 384835-49-8 1,2-dioleoyl-sn-glycero-3-phosphoethanolaMine-N-[4-(p-MaleiMidophenyl)butyraMide] (sodiuM salt) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/384835-49-8.gif)
CAS RN: 384835-49-8
1,2-dioleoyl-sn-glycero-3-phosphoethanolaMine-N-[4-(p-MaleiMidophenyl)butyraMide] (sodiuM salt)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS384835-49-8
- Purity/Analytical Methods: >99.0%
384835-49-8 / sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoylamino]ethyl phosphate
Basic Information
CAS
384835-49-8
Multi CAS
Yes
Molecular Formula
C55H88N2NAO11P
Molecular Weight
1007.300000
Exact Mass
1006.602343
InChI
InChI=1S/C55H89N2O11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-54(61)65-46-50(68-55(62)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-67-69(63,64)66-45-44-56-51(58)35-33-34-48-38-40-49(41-39-48)57-52(59)42-43-53(57)60;/h17-20,38-43,50H,3-16,21-37,44-47H2,1-2H3,(H,56,58)(H,63,64);/q;+1/p-1/b19-17-,20-18-;/t50-;/m1./s1
InChIKey
IILKDCDPRGFBSN-VCRVZWGWSA-M
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
45
H-bond acceptors
11
H-bond donors
1
Molar refractivity
273.28
TPSA
177.67
LogP / Solubility
WLOGP
9.59
MLOGP
8.54
XLogP3
9.59
Consensus LogP
9.24
Log S (ESOL)
-9.22
Class (ESOL)
Insoluble
Log S (Ali)
-14.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.57
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)
-2.06
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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