CAS RN: 225518-49-0
2,5-Dichloro-3,4-ethylenedioxythiophene
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-110306
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
225518-49-0 / 5,7-dichloro-2,3-dihydrothieno[3,4-b][1,4]dioxine
Basic Information
CAS
225518-49-0
Multi CAS
No
Molecular Formula
C6H4Cl2O2S
Molecular Weight
211.060000
Exact Mass
209.930906
SMILES
C1COC2=C(SC(=C2O1)Cl)Cl
InChI
InChI=1S/C6H4Cl2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
InChIKey
UOJXEABHQWNIKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
45.33
TPSA
18.46
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
3.2
Consensus LogP
2.84
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 365547-21-3
- Product Code: SSC-143744
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![CAS 365547-21-3 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4568-jpgcontextbwfzdgvyfhjvb3r8mzqyotn8aw1hz2uvanblz3xommivade1lzg5mzayoty0njmzotavrdq1njguanbnfgyxmdyzywyxntljntc0zjm1nzg1zdvkm2iznmfjmtjhotq4otrhode2nmnhnwjmyznhyjriytfjnmu3ntazyjg.jpeg)
