CAS RN: 153874-14-7
S16961
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.20250529 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS153874-14-7
- Purity/Analytical Methods: >99.0%
153874-14-7 / 2,3-di(hexadecanoyloxy)propyl pyridine-3-carboxylate
Basic Information
CAS
153874-14-7
Multi CAS
No
Molecular Formula
C41H71NO6
Molecular Weight
674.000000
Exact Mass
673.528139
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CN=CC=C1)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C41H71NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-39(43)46-35-38(36-47-41(45)37-30-29-33-42-34-37)48-40(44)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,38H,3-28,31-32,35-36H2,1-2H3
InChIKey
HOTHIZPJZICUAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
34
H-bond acceptors
7
Molar refractivity
195.98
TPSA
91.79
LogP / Solubility
WLOGP
11.66
MLOGP
10.31
XLogP3
15.2
Consensus LogP
12.39
Log S (ESOL)
-9.21
Class (ESOL)
Insoluble
Log S (Ali)
-13.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
1.44
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
4.5
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