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CAS 108032-13-9 1,2-dipalmitoyl-3-succinylglycerol molecular structure lightbox
CAS RN: 108032-13-9

1,2-dipalmitoyl-3-succinylglycerol

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3 package records2 with current stock1 grade group
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Batchno.20250813 100mg Out of stock Inquiry
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  • Product code: starshine_CAS108032-13-9
  • Purity/Analytical Methods: >99.0%
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108032-13-9 / 4-[(2R)-2,3-di(hexadecanoyloxy)propoxy]-4-oxobutanoic acid

1,2-Dpsg | 1,2-Dipalmitoyl-3-succinylglycerol | DTXSID10148366

Standard CAS: 108032-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108032-13-9
Multi CAS
Yes
Molecular Formula
C39H72O8
Molecular Weight
669.000000
Exact Mass
668.522719
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C39H72O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(42)45-33-35(34-46-38(43)32-31-36(40)41)47-39(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,40,41)/t35-/m1/s1
InChIKey
GNENAKXIVCYCIZ-PGUFJCEWSA-N
Synonyms
1,2-Dpsg 1,2-Dipalmitoyl-3-succinylglycerol DTXSID10148366 1,2-dipalmitoyl-sn-glycerol-3-succinate RefChem:906751

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.9
Rotatable bonds
36
H-bond acceptors
7
H-bond donors
1
Molar refractivity
189.29
TPSA
116.2

LogP / Solubility

WLOGP
10.81
MLOGP
9.57
XLogP3
14
Consensus LogP
11.46
Log S (ESOL)
-8.42
Class (ESOL)
Insoluble
Log S (Ali)
-12.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.3
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)
0.88

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
4.5

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