CAS RN: 39495-82-4
ETHYL 5-METHYL-5-HEXENOATE
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.20250513 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS39495-82-4
- Purity/Analytical Methods: >99.0%
39495-82-4 / ethyl 5-methylhex-5-enoate
Basic Information
CAS
39495-82-4
Multi CAS
Yes
Molecular Formula
C9H16O2
Molecular Weight
156.220000
Exact Mass
156.115030
InChI
InChI=1S/C9H16O2/c1-4-11-9(10)7-5-6-8(2)3/h2,4-7H2,1,3H3
InChIKey
YAGNKYLIKNJGBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
45.3
TPSA
26.3
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.04
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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