CAS RN: 321883-54-9
1,2-dioctanoyl-sn-glycero-3-phosphate (sodiuM salt)
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS321883-54-9
- Purity/Analytical Methods: >99.0%
321883-54-9 / disodium;[(2R)-2,3-di(octanoyloxy)propyl] phosphate
Basic Information
CAS
321883-54-9
Multi CAS
Yes
Molecular Formula
C19H35NA2O8P
Molecular Weight
468.400000
Exact Mass
468.186494
InChI
InChI=1S/C19H37O8P.Na/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3,(H2,22,23,24);/q;+1/p-1/t17-;/m1./s1
InChIKey
ZNDNSOYDPUTHKQ-UNTBIKODSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.89
Rotatable bonds
18
H-bond acceptors
8
Molar refractivity
101.15
TPSA
125.02
LogP / Solubility
WLOGP
-2.98
MLOGP
-2.59
XLogP3
-2.98
Consensus LogP
-2.85
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
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
No
Log Kp (skin permeation)
-7.7
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
3
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