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CAS 2846-04-0 1 3-DISTEAROYL-2-OLEOYLGLYCEROL molecular structure lightbox
CAS RN: 2846-04-0

1 3-DISTEAROYL-2-OLEOYLGLYCEROL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2846-04-0
  • Purity/Analytical Methods: >99.0%
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2846-04-0 / (3-octadecanoyloxy-2-octadec-9-enoyloxypropyl) octadecanoate

Standard CAS: 2846-04-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2846-04-0
Multi CAS
No
Molecular Formula
C57H108O6
Molecular Weight
889.500000
Exact Mass
888.814591
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3
InChIKey
RBLADLVPSYELCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Fraction Csp3
0.91
Rotatable bonds
52
H-bond acceptors
6
Molar refractivity
270.34
TPSA
78.9

LogP / Solubility

WLOGP
18.55
MLOGP
16.4
XLogP3
24.3
Consensus LogP
19.75
Log S (ESOL)
-13.61
Class (ESOL)
Insoluble
Log S (Ali)
-20.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.07
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)
5.02

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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