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CAS 2177-97-1 1-O,3-O-Dipalmitoyl-2-O-stearoyl-L-glycerol molecular structure lightbox
CAS RN: 2177-97-1

1-O,3-O-Dipalmitoyl-2-O-stearoyl-L-glycerol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2177-97-1
  • Purity/Analytical Methods: >99.0%
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2177-97-1 / 1,3-di(hexadecanoyloxy)propan-2-yl octadecanoate

Standard CAS: 2177-97-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2177-97-1
Multi CAS
No
Molecular Formula
C53H102O6
Molecular Weight
835.400000
Exact Mass
834.767641
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h50H,4-49H2,1-3H3
InChIKey
QRJMBNGGFSPTQP-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
59
Fraction Csp3
0.94
Rotatable bonds
49
H-bond acceptors
6
Molar refractivity
251.97
TPSA
78.9

LogP / Solubility

WLOGP
17.21
MLOGP
15.22
XLogP3
23
Consensus LogP
18.48
Log S (ESOL)
-12.63
Class (ESOL)
Insoluble
Log S (Ali)
-18.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.4

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

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