CAS RN: 2549-42-0
GAMMA-METHYL-EPSILON-CAPROLACTONE
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.20260406 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2549-42-0
- Purity/Analytical Methods: >99.0%
2549-42-0 / 5-methyloxepan-2-one
Basic Information
CAS
2549-42-0
Multi CAS
No
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
SMILES
CC1CCC(=O)OCC1
InChI
InChI=1S/C7H12O2/c1-6-2-3-7(8)9-5-4-6/h6H,2-5H2,1H3
InChIKey
VNXMFQWTDCWMDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
Molar refractivity
33.97
TPSA
26.3
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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