CAS RN: 516510-78-4
1-Bromo-4-(trans-4-butylcyclohexyl)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.20251229 | 50g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS516510-78-4
- Purity/Analytical Methods: >99.0%
516510-78-4 / 1-bromo-4-(4-butylcyclohexyl)benzene
Basic Information
CAS
516510-78-4
Multi CAS
No
Molecular Formula
C16H23BR
Molecular Weight
295.260000
Exact Mass
294.098310
InChI
InChI=1S/C16H23Br/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14H,2-8H2,1H3
InChIKey
NFLACFCPGPQOFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
Molar refractivity
78.37
TPSA
0.0000
LogP / Solubility
WLOGP
5.91
MLOGP
5.21
XLogP3
7
Consensus LogP
6.04
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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