[email protected]
CAS 73398-61-5 Caprylic/capric triglyceride molecular structure lightbox
CAS RN: 73398-61-5

Caprylic/capric triglyceride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 50g / 250g / 1kg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS73398-61-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

73398-61-5 / 11-(2,3-dihydroxypropoxycarbonyl)heptadecanoate

Standard CAS: 73398-61-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73398-61-5
Multi CAS
Yes
Molecular Formula
C21H39O6
Molecular Weight
387.500000
Exact Mass
387.274664
InChI
InChI=1S/C21H40O6/c1-2-3-4-10-13-18(21(26)27-17-19(23)16-22)14-11-8-6-5-7-9-12-15-20(24)25/h18-19,22-23H,2-17H2,1H3,(H,24,25)/p-1
InChIKey
YWHITOKQSMJXEA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.9
Rotatable bonds
19
H-bond acceptors
6
H-bond donors
2
Molar refractivity
102.86
TPSA
106.89

LogP / Solubility

WLOGP
2.73
MLOGP
2.43
XLogP3
6
Consensus LogP
3.72
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us