![CAS 255901-50-9 3,3-Dimethyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5423-jpgcontextbwfzdgvyfhjvb3r8mzkxndf8aw1hz2uvanblz3xozjkvadk1lzg5mzaznze2otg3mtgvrdu0mjmuanbnfda2ytdmmzeym2vhodcwnzixnzq0oge4ogm5ngm1mmuxnjfhmziwzjbiyte2m2u3ztyynzyyngnlmtu1zmeymjq.jpeg)
CAS RN: 255901-50-9
3,3-Dimethyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250726 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-121714
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
255901-50-9 / 3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
Basic Information
CAS
255901-50-9
Multi CAS
No
Molecular Formula
C9H12O2S
Molecular Weight
184.260000
Exact Mass
184.055801
SMILES
CC1(COC2=CSC=C2OC1)C
InChI
InChI=1S/C9H12O2S/c1-9(2)5-10-7-3-12-4-8(7)11-6-9/h3-4H,5-6H2,1-2H3
InChIKey
PUEUIEYRIVFGLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.56
H-bond acceptors
3
Molar refractivity
49.09
TPSA
18.46
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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