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CAS 127640-49-7 1,2-DIOLEOYL-SN-GLYCERO-3-SUCCINATE molecular structure lightbox
CAS RN: 127640-49-7

1,2-DIOLEOYL-SN-GLYCERO-3-SUCCINATE

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Batchno.20260404 25mg Out of stock Inquiry
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  • Product code: starshine_CAS127640-49-7
  • Purity/Analytical Methods: >99.0%
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127640-49-7 / 4-[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoic acid

Standard CAS: 127640-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127640-49-7
Multi CAS
No
Molecular Formula
C43H76O8
Molecular Weight
721.100000
Exact Mass
720.554019
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C43H76O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(46)49-37-39(38-50-42(47)36-35-40(44)45)51-43(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,44,45)/b19-17-,20-18-/t39-/m1/s1
InChIKey
VZGIZLLBNVAMQT-NYVOMTAGSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.81
Rotatable bonds
38
H-bond acceptors
7
H-bond donors
1
Molar refractivity
207.57
TPSA
116.2

LogP / Solubility

WLOGP
11.92
MLOGP
10.56
XLogP3
14.3
Consensus LogP
12.26
Log S (ESOL)
-9.32
Class (ESOL)
Insoluble
Log S (Ali)
-14.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.8
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)
1.35

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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