![CAS 67232-81-9 1,2-DIHEXADECANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] SODIUM SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67232-81-9.gif)
CAS RN: 67232-81-9
1,2-DIHEXADECANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] SODIUM SALT
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS67232-81-9
- Purity/Analytical Methods: >99.0%
67232-81-9 / [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Basic Information
CAS
67232-81-9
Multi CAS
Yes
Molecular Formula
C38H75O10P
Molecular Weight
723.000000
Exact Mass
722.509786
InChI
InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)
InChIKey
BIABMEZBCHDPBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.95
Rotatable bonds
38
H-bond acceptors
9
H-bond donors
3
Molar refractivity
196.28
TPSA
148.82
LogP / Solubility
WLOGP
9.89
MLOGP
8.77
XLogP3
12.2
Consensus LogP
10.29
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-12.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.11
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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