![CAS 126213-55-6 2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126213-55-6.gif)
CAS RN: 126213-55-6
2-Decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
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.20250919 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-033071
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 | Hong Kong | Inquiry |
126213-55-6 / 3-decyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
Basic Information
CAS
126213-55-6
Multi CAS
No
Molecular Formula
C16H26O2S
Molecular Weight
282.400000
Exact Mass
282.165351
SMILES
CCCCCCCCCCC1COC2=CSC=C2O1
InChI
InChI=1S/C16H26O2S/c1-2-3-4-5-6-7-8-9-10-14-11-17-15-12-19-13-16(15)18-14/h12-14H,2-11H2,1H3
InChIKey
VTCXNUFHLUPLOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
81.46
TPSA
18.46
LogP / Solubility
WLOGP
5.42
MLOGP
4.78
XLogP3
6.4
Consensus LogP
5.53
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.6
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
2
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