CAS RN: 799268-52-3
1,2-diheptadecanoyl-sn-glycero-3-phospho-(1′-rac-glycerol) (sodiuM salt)
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.20251003 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS799268-52-3
- Purity/Analytical Methods: >99.0%
799268-52-3 / sodium [(2R)-2,3-di(heptadecanoyloxy)propyl] 2,3-dihydroxypropyl phosphate
Basic Information
CAS
799268-52-3
Multi CAS
Yes
Molecular Formula
C40H78NAO10P
Molecular Weight
773.000000
Exact Mass
772.523030
InChI
InChI=1S/C40H79O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37-38,41-42H,3-36H2,1-2H3,(H,45,46);/q;+1/p-1/t37?,38-;/m1./s1
InChIKey
KPXRLCBGVWDJKW-KQWGQSANSA-M
Computed Properties
Structural Parameters
Heavy atom count
52
Fraction Csp3
0.95
Rotatable bonds
40
H-bond acceptors
10
H-bond donors
2
Molar refractivity
203.3
TPSA
151.65
LogP / Solubility
WLOGP
7.04
MLOGP
6.27
XLogP3
7.04
Consensus LogP
6.78
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-10.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.33
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43
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
5.5
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