Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5ml
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5ml | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
592-47-2 / hex-3-ene
Basic Information
CAS
592-47-2
Multi CAS
Yes
Molecular Formula
C6H12
Molecular Weight
84.160000
Exact Mass
84.093900
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3
InChIKey
ZQDPJFUHLCOCRG-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid with a mild odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
Molar refractivity
29.72
TPSA
0.0000
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.41
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)
-1.56
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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