CAS RN: 54845-28-2
E2HE2H
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260418 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS54845-28-2
- Purity/Analytical Methods: >99.0%
54845-28-2 / hex-2-enyl hex-2-enoate
Basic Information
CAS
54845-28-2
Multi CAS
Yes
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
InChI
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7-10H,3-6,11H2,1-2H3/b9-7+,10-8+
InChIKey
QZZVRWSUQQJJOS-FIFLTTCUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.58
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
59.06
TPSA
26.3
LogP / Solubility
WLOGP
3.24
MLOGP
2.85
XLogP3
3.8
Consensus LogP
3.3
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-1.62
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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