CAS RN: 68797-94-4
6-broMo-1-hexanol acetate
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.20260203 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS68797-94-4
- Purity/Analytical Methods: >99.0%
68797-94-4 / 6-bromohexyl acetate
Basic Information
CAS
68797-94-4
Multi CAS
Yes
Molecular Formula
C8H15BRO2
Molecular Weight
223.110000
Exact Mass
222.025540
InChI
InChI=1S/C8H15BrO2/c1-8(10)11-7-5-3-2-4-6-9/h2-7H2,1H3
InChIKey
IMSPZLCTPSXORJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
48.9
TPSA
26.3
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.7
Consensus LogP
2.47
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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