CAS RN: 108321-06-8
1 2-DILAUROYL-SN-GLYCERO-3-PHOSPHORIC
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS108321-06-8
- Purity/Analytical Methods: >99.0%
108321-06-8 / sodium [(2R)-2,3-di(dodecanoyloxy)propyl] hydrogen phosphate
Sodium (R)-2,3-bis(dodecanoyloxy)propyl phosphate | SCHEMBL30998855 | 1,2-Dilauroyl-sn-glycero-3-phosphatidic acid, sodium salt
Basic Information
CAS
108321-06-8
Multi CAS
Yes
Molecular Formula
C27H52NaO8P
Molecular Weight
558.700000
Exact Mass
558.329750
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC.[Na+]
InChI
InChI=1S/C27H53O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3,(H2,30,31,32);/q;+1/p-1/t25-;/m1./s1
InChIKey
CIOHBYXGWWPOIS-VQIWEWKSSA-M
Synonyms
Sodium (R)-2,3-bis(dodecanoyloxy)propyl phosphate
SCHEMBL30998855
1,2-Dilauroyl-sn-glycero-3-phosphatidic acid, sodium salt
1,2-Dilauroyl-sn-glycero-3-phosphate sodium
Sodium(R)-2,3-bis(dodecanoyloxy)propylphosphate
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.93
Rotatable bonds
26
H-bond acceptors
7
H-bond donors
1
Molar refractivity
140.3
TPSA
122.19
LogP / Solubility
WLOGP
3.76
MLOGP
3.36
XLogP3
3.76
Consensus LogP
3.63
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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