CAS RN: 1026692-54-5
2-(4-Methoxyphenyl)dihydro-2H-pyran-4(3H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-003949
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1026692-54-5 / 2-(4-methoxyphenyl)oxan-4-one
2-(4-Methoxyphenyl)dihydro-2H-pyran-4(3H)-one | 2-(4-methoxyphenyl)oxan-4-one | 4H-Pyran-4-one, tetrahydro-2-(4-methoxyphenyl)-
Basic Information
CAS
1026692-54-5
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
COC1=CC=C(C=C1)C2CC(=O)CCO2
InChI
InChI=1S/C12H14O3/c1-14-11-4-2-9(3-5-11)12-8-10(13)6-7-15-12/h2-5,12H,6-8H2,1H3
InChIKey
DADYYFMMZDWEEQ-UHFFFAOYSA-N
Synonyms
2-(4-Methoxyphenyl)dihydro-2H-pyran-4(3H)-one
2-(4-methoxyphenyl)oxan-4-one
4H-Pyran-4-one, tetrahydro-2-(4-methoxyphenyl)-
MFCD19650726
2-(4-methoxyphenyl)tetrahydro-4H-pyran-4-one
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.93
TPSA
35.53
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
1
Consensus LogP
1.66
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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