CAS RN: 10408-15-8
6-methyl-6-hepten-2-one
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.20250325 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10408-15-8
- Purity/Analytical Methods: >99.0%
10408-15-8 / 6-methylhept-6-en-2-one
6-Methyl-6-hepten-2-one | 6-methylhept-6-en-2-one | DTXSID70146247
Basic Information
CAS
10408-15-8
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
CC(=C)CCCC(=O)C
InChI
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h1,4-6H2,2-3H3
InChIKey
FMCHGBFGIKQNCT-UHFFFAOYSA-N
Synonyms
6-Methyl-6-hepten-2-one
6-methylhept-6-en-2-one
DTXSID70146247
RefChem:105007
DTXCID5068738
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
39.35
TPSA
17.07
LogP / Solubility
WLOGP
2.32
MLOGP
2.03
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.84
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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