![CAS 1298093-47-6 2H-1-Benzopyran-3-carboxaldehyde, 2,2-dimethyl-7-[(tetrahydro-2H-pyran-2-yl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1298093-47-6.gif)
CAS RN: 1298093-47-6
2H-1-Benzopyran-3-carboxaldehyde, 2,2-dimethyl-7-[(tetrahydro-2H-pyran-2-yl)oxy]-
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.20250422 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-036650
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1298093-47-6 / 2,2-dimethyl-7-(oxan-2-yloxy)chromene-3-carbaldehyde
Basic Information
CAS
1298093-47-6
Multi CAS
No
Molecular Formula
C17H20O4
Molecular Weight
288.340000
Exact Mass
288.136159
SMILES
CC1(C(=CC2=C(O1)C=C(C=C2)OC3CCCCO3)C=O)C
InChI
InChI=1S/C17H20O4/c1-17(2)13(11-18)9-12-6-7-14(10-15(12)21-17)20-16-5-3-4-8-19-16/h6-7,9-11,16H,3-5,8H2,1-2H3
InChIKey
LFADCEWPDATLDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
79.41
TPSA
44.76
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
2.9
Consensus LogP
3.07
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly 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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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