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CAS 1373168-73-0 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHO-SN-1-GLYCEROL SODIUM SALT molecular structure lightbox
CAS RN: 1373168-73-0

1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHO-SN-1-GLYCEROL SODIUM SALT

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3 package records3 with current stock1 grade group
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Batchno.20260529 100mg In stock Inquiry
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  • Product code: starshine_CAS1373168-73-0
  • Purity/Analytical Methods: >99.0%
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1373168-73-0 / azanium [(2R)-2,3-di(hexadecanoyloxy)propyl] 2,3-dihydroxypropyl phosphate

Standard CAS: 1373168-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373168-73-0
Multi CAS
No
Molecular Formula
C38H78NO10P
Molecular Weight
740.000000
Exact Mass
739.536335
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[NH4+]
InChI
InChI=1S/C38H75O10P.H3N/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);1H3/t35?,36-;/m1./s1
InChIKey
KSVUSCAQEBSOIJ-ODZMYOIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.95
Rotatable bonds
38
H-bond acceptors
10
H-bond donors
3
Molar refractivity
200.05
TPSA
188.15

LogP / Solubility

WLOGP
9.64
MLOGP
8.54
XLogP3
9.64
Consensus LogP
9.27
Log S (ESOL)
-7.99
Class (ESOL)
Insoluble
Log S (Ali)
-12.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.03
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)
-0.39

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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