CAS RN: 13410-45-2
3-Methyltricosane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINM905338
13410-45-2 / 3-methyltricosane
Basic Information
CAS
13410-45-2
Multi CAS
No
Molecular Formula
C24H50
Molecular Weight
338.700000
Exact Mass
338.391252
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C24H50/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(3)5-2/h24H,4-23H2,1-3H3
InChIKey
WCAGWYVPTZQWEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
20
Molar refractivity
112.85
TPSA
0.0000
LogP / Solubility
WLOGP
9.46
MLOGP
8.35
XLogP3
12.9
Consensus LogP
10.24
Log S (ESOL)
-6.58
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.12
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
No
Log Kp (skin permeation)
1.93
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
