[email protected]
CAS 134907-85-0 1,2,3-TRI[TRANS-9-HEXADECENOYL]GLYCEROL molecular structure lightbox
CAS RN: 134907-85-0

1,2,3-TRI[TRANS-9-HEXADECENOYL]GLYCEROL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS134907-85-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

134907-85-0 / 2,3-bis[[(E)-hexadec-9-enoyl]oxy]propyl (E)-hexadec-9-enoate

Standard CAS: 134907-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134907-85-0
Multi CAS
No
Molecular Formula
C51H92O6
Molecular Weight
801.300000
Exact Mass
800.689391
SMILES
CCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCC/C=C/CCCCCC
InChI
InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,48H,4-18,25-47H2,1-3H3/b22-19+,23-20+,24-21+
InChIKey
SKGWNZXOCSYJQL-IKVQWSBMSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Fraction Csp3
0.82
Rotatable bonds
44
H-bond acceptors
6
Molar refractivity
242.45
TPSA
78.9

LogP / Solubility

WLOGP
15.76
MLOGP
13.94
XLogP3
19.1
Consensus LogP
16.27
Log S (ESOL)
-11.83
Class (ESOL)
Insoluble
Log S (Ali)
-17.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.23
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)
3.58

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

Customers Also Viewed

Get In Touch

Contact Us