CAS RN: 1660967-16-7
4-(2-hexyldecyl)bromobenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260104 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS1660967-16-7
- Purity/Analytical Methods: >99.0%
1660967-16-7 / 1-bromo-4-(2-hexyldecyl)benzene
Basic Information
CAS
1660967-16-7
Multi CAS
No
Molecular Formula
C22H37Br
Molecular Weight
381.400000
Exact Mass
380.207860
SMILES
CCCCCCCCC(CCCCCC)CC1=CC=C(C=C1)Br
InChI
InChI=1S/C22H37Br/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-21-15-17-22(23)18-16-21/h15-18,20H,3-14,19H2,1-2H3
InChIKey
OAOWDHHAGVEXFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
14
Molar refractivity
108.09
TPSA
0.0000
LogP / Solubility
WLOGP
8.33
MLOGP
7.35
XLogP3
10.7
Consensus LogP
8.79
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.73
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)
0.87
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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