![CAS 98800-10-3 Methyl Thieno[3,2-b]thiophene-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m3001-jpgcontextbwfzdgvyfhjvb3r8mzexmzv8aw1hz2uvanblz3xomjyvadvllzg5mze2mti4oduwmjivttmwmdeuanbnfdq1nte2y2uwmmjlzgy0ota2mdjhytcznwnjytlim2uxztjhytm3ywrkmgiwnddmzgriowe1zmqymzzintawyzk.jpeg)
CAS RN: 98800-10-3
Methyl Thieno[3,2-b]thiophene-2-carboxylate
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.20251005 | 200mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-212840
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
98800-10-3 / methyl thieno[3,2-b]thiophene-5-carboxylate
Basic Information
CAS
98800-10-3
Multi CAS
No
Molecular Formula
C8H6O2S2
Molecular Weight
198.300000
Exact Mass
197.980922
InChI
InChI=1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3
InChIKey
VCLNJFSCOKHCEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.04
TPSA
26.3
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
2.9
Consensus LogP
2.69
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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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