CAS RN: 3377-87-5
3-Bromohexane (contains 2-Bromohexane) (stabilized with Copper chip)
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.20250319 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTB1289
- Purity/Analytical Methods: >80.0%(GC)
3377-87-5 / 3-bromohexane
Basic Information
CAS
3377-87-5
Multi CAS
No
Molecular Formula
C6H13BR
Molecular Weight
165.070000
Exact Mass
164.020060
InChI
InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChIKey
IOZOJWNUKLCDML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
37.91
TPSA
0.0000
LogP / Solubility
WLOGP
2.96
MLOGP
2.6
XLogP3
3.2
Consensus LogP
2.92
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.63
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
2
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- Purity/Analytical method: >98.0%(GC)
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