CAS RN: 35558-49-7
BROMOCYCLOHEXANE-D11
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.20251230 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35558-49-7
- Purity/Analytical Methods: >99.0%
35558-49-7 / bromocyclohexane
Basic Information
CAS
35558-49-7
Multi CAS
Yes
Molecular Formula
C6H11BR
Molecular Weight
163.060000
Exact Mass
162.004410
InChI
InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6D
InChIKey
AQNQQHJNRPDOQV-KAFHOZLVSA-N
Physical Properties
Physical Description
Liquid with a penetrating odor; [Merck Index] Colorless liquid with an unpleasant odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Molar refractivity
35.8
TPSA
0.0000
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
3.2
Consensus LogP
2.76
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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