CAS RN: 14720-74-2
2,2,4-Trimethylheptane.
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.20250723 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14720-74-2
- Purity/Analytical Methods: >99.0%
14720-74-2 / 2,2,4-trimethylheptane
Basic Information
CAS
14720-74-2
Multi CAS
No
Molecular Formula
C10H22
Molecular Weight
142.280000
Exact Mass
142.172151
SMILES
CCCC(C)CC(C)(C)C
InChI
InChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3
InChIKey
IIYGOARYARWJBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
48.14
TPSA
0.0000
LogP / Solubility
WLOGP
3.86
MLOGP
3.39
XLogP3
4.9
Consensus LogP
4.05
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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