CAS RN: 927833-56-5
1-Methyl-4-(4-Methylhepta-1,6-Dien-4-Yl)Benzene
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.20250322 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS927833-56-5
- Purity/Analytical Methods: >99.0%
927833-56-5 / 1-methyl-4-(4-methylhepta-1,6-dien-4-yl)benzene
Basic Information
CAS
927833-56-5
Multi CAS
No
Molecular Formula
C15H20
Molecular Weight
200.320000
Exact Mass
200.156501
InChI
InChI=1S/C15H20/c1-5-11-15(4,12-6-2)14-9-7-13(3)8-10-14/h5-10H,1-2,11-12H2,3-4H3
InChIKey
KWDLBRWBCHQHDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
Molar refractivity
68.16
TPSA
0.0000
LogP / Solubility
WLOGP
4.4
MLOGP
3.88
XLogP3
5.1
Consensus LogP
4.46
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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