CAS RN: 5009-31-4
(Z)-1-bromohex-3-ene
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.20250219 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5009-31-4
- Purity/Analytical Methods: >99.0%
5009-31-4 / 1-bromohex-3-ene
Basic Information
CAS
5009-31-4
Multi CAS
Yes
Molecular Formula
C6H11BR
Molecular Weight
163.060000
Exact Mass
162.004410
InChI
InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3
InChIKey
HSNATJOWAYTBGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
3
Molar refractivity
37.84
TPSA
0.0000
LogP / Solubility
WLOGP
2.74
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.65
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-1.77
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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