CAS RN: 58416-04-9
Dimethyl 3,4-Dihydroxy-2,5-thiophenedicarboxylate
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260505 | 200mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250919 | 100mg | In stock | Shenzhen | Inquiry | |
| Batchno.20260701 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20251206 | 250mg | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260601 | 25g | In stock | Shenzhen | Inquiry | |
| Batchno.20260323 | 5g | Out of stock | Inquiry |
- Product code: SSC-166657
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
58416-04-9 / dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
Basic Information
CAS
58416-04-9
Multi CAS
Yes
Molecular Formula
C8H8O6S
Molecular Weight
232.210000
Exact Mass
232.004159
InChI
InChI=1S/C8H8O6S/c1-13-7(11)5-3(9)4(10)6(15-5)8(12)14-2/h9-10H,1-2H3
InChIKey
ZZVINKJCOXPIKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
50.33
TPSA
93.06
LogP / Solubility
WLOGP
0.73
MLOGP
0.65
XLogP3
2.4
Consensus LogP
1.26
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
