[email protected]
CAS 127098-14-0 Glyceryl hexacosanoate molecular structure lightbox
CAS RN: 127098-14-0

Glyceryl hexacosanoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250707 5mg Out of stock Inquiry
  • Product code: starshine_CAS127098-14-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

127098-14-0 / 2,3-dihydroxypropyl hexacosanoate

Standard CAS: 127098-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127098-14-0
Multi CAS
No
Molecular Formula
C29H58O4
Molecular Weight
470.800000
Exact Mass
470.433510
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C29H58O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(32)33-27-28(31)26-30/h28,30-31H,2-27H2,1H3
InChIKey
QAJHAMGOPUEFRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.97
Rotatable bonds
27
H-bond acceptors
4
H-bond donors
2
Molar refractivity
140.53
TPSA
66.76

LogP / Solubility

WLOGP
8.27
MLOGP
7.31
XLogP3
11.7
Consensus LogP
9.09
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-9.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.82
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)
0.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us