CAS RN: 121957-69-5
DIPENTADECANOIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS121957-69-5
- Purity/Analytical Methods: >99.0%
121957-69-5 / (2-hydroxy-3-pentadecanoyloxypropyl) pentadecanoate
Basic Information
CAS
121957-69-5
Multi CAS
No
Molecular Formula
C33H64O5
Molecular Weight
540.900000
Exact Mass
540.475375
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)O
InChI
InChI=1S/C33H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-29-31(34)30-38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3
InChIKey
HZEBMMLXOCVJNI-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.94
Rotatable bonds
30
H-bond acceptors
5
H-bond donors
1
Molar refractivity
159.31
TPSA
72.83
LogP / Solubility
WLOGP
9.62
MLOGP
8.5
XLogP3
13
Consensus LogP
10.37
Log S (ESOL)
-7.27
Class (ESOL)
Insoluble
Log S (Ali)
-10.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.76
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)
0.81
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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