CAS RN: 6902-54-1
3-methylpentacosane
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.20260218 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6902-54-1
- Purity/Analytical Methods: >99.0%
6902-54-1 / 3-methylpentacosane
Basic Information
CAS
6902-54-1
Multi CAS
Yes
Molecular Formula
C26H54
Molecular Weight
366.700000
Exact Mass
366.422552
InChI
InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3
InChIKey
VNSJCJLDAGMPAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
22
Molar refractivity
122.09
TPSA
0.0000
LogP / Solubility
WLOGP
10.24
MLOGP
9.04
XLogP3
14
Consensus LogP
11.09
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-9.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.19
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)
2.32
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
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