CAS RN: 345216-96-8
Ethyl 4-acetyl tetrahydro-2H-pyran-4-carboxylate
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.20250125 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS345216-96-8
- Purity/Analytical Methods: >99.0%
345216-96-8 / methyl 4-acetyloxane-4-carboxylate
Basic Information
CAS
345216-96-8
Multi CAS
Yes
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
InChI
InChI=1S/C9H14O4/c1-7(10)9(8(11)12-2)3-5-13-6-4-9/h3-6H2,1-2H3
InChIKey
IMGDPCBVSHGKDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.18
TPSA
52.6
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
0.2
Consensus LogP
0.41
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.47
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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