CAS RN: 474923-47-2
1,2-dioleoyl-sn-glycero-3-phosphoethanolaMine-N-(dodecanyl) (sodiuM salt)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS474923-47-2
- Purity/Analytical Methods: >99.0%
474923-47-2 / sodium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(11-carboxyundecanoylamino)ethyl phosphate
Basic Information
CAS
474923-47-2
Multi CAS
Yes
Molecular Formula
C53H97NNAO11P
Molecular Weight
978.300000
Exact Mass
977.669694
InChI
InChI=1S/C53H98NO11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-35-39-43-52(58)62-47-49(65-53(59)44-40-36-32-26-24-22-20-18-16-14-12-10-8-6-4-2)48-64-66(60,61)63-46-45-54-50(55)41-37-33-29-27-28-30-34-38-42-51(56)57;/h17-20,49H,3-16,21-48H2,1-2H3,(H,54,55)(H,56,57)(H,60,61);/q;+1/p-1/b19-17-,20-18-;/t49-;/m1./s1
InChIKey
AHHCDNFLXOEQMC-VXILFBGRSA-M
Computed Properties
Structural Parameters
Heavy atom count
67
Fraction Csp3
0.85
Rotatable bonds
51
H-bond acceptors
10
H-bond donors
2
Molar refractivity
266.07
TPSA
177.59
LogP / Solubility
WLOGP
11.12
MLOGP
9.88
XLogP3
11.12
Consensus LogP
10.71
Log S (ESOL)
-9.55
Class (ESOL)
Insoluble
Log S (Ali)
-15.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.37
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)
-0.79
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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![CAS 474943-05-0 N-[12-[(7-NITRO-2-1,3-BENZOXADIAZOL-4-YL)AMINO]DODECANOYL]-SPHINGANINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8179463.gif)
