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CAS 169051-60-9 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE molecular structure lightbox
CAS RN: 169051-60-9

1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE

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11 package records10 with current stock4 grade groups
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Batchno.20250402 100mg In stock Inquiry
Batchno.20250529 25mg In stock Inquiry
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Batchno.20260422 100mg In stock Shanghai Inquiry
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Batchno.20250109 100mg In stock Shanghai, Shandong Inquiry
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Batchno.20251204 250mg In stock Shanghai, Shandong, Hebei Inquiry
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  • Product code: starshine_CAS169051-60-9
  • Purity/Analytical Methods: >99.0%
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169051-60-9 / sodium [(2R)-2,3-di(hexadecanoyloxy)propyl] hydrogen phosphate

Standard CAS: 169051-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169051-60-9
Multi CAS
No
Molecular Formula
C35H68NaO8P
Molecular Weight
670.900000
Exact Mass
670.454950
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C35H69O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33H,3-32H2,1-2H3,(H2,38,39,40);/q;+1/p-1/t33-;/m1./s1
InChIKey
BMBWFDPPCSTUSZ-MGDILKBHSA-M

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.94
Rotatable bonds
34
H-bond acceptors
7
H-bond donors
1
Molar refractivity
177.24
TPSA
122.19

LogP / Solubility

WLOGP
6.89
MLOGP
6.12
XLogP3
6.89
Consensus LogP
6.63
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-10.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.82
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)
-1.92

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

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