CAS RN: 57978-00-4
6-BROMOHEXANAL
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.20250612 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57978-00-4
- Purity/Analytical Methods: >99.0%
57978-00-4 / 6-bromohexanal
Basic Information
CAS
57978-00-4
Multi CAS
No
Molecular Formula
C6H11BRO
Molecular Weight
179.050000
Exact Mass
177.999330
InChI
InChI=1S/C6H11BrO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKey
SSKLZGVVAYKNSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
38.33
TPSA
17.07
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.29
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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