CAS RN: 60187-76-0
2-Oxepanone, 5,5-dimethyl-
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.20260318 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60187-76-0
- Purity/Analytical Methods: >99.0%
60187-76-0 / 5,5-dimethyloxepan-2-one
Basic Information
CAS
60187-76-0
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-8(2)4-3-7(9)10-6-5-8/h3-6H2,1-2H3
InChIKey
DZFRTIRBQOOHKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
Molar refractivity
38.59
TPSA
26.3
LogP / Solubility
WLOGP
1.74
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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