CAS RN: 942589-45-9
Methyl 3-aMino-5-iodo-2-thiophenecarboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260419 | 10g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20260603 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250324 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260319 | 250mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20251122 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-208922
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 | Shenzhen | Inquiry |
942589-45-9 / methyl 3-amino-5-iodothiophene-2-carboxylate
Basic Information
CAS
942589-45-9
Multi CAS
Yes
Molecular Formula
C6H6InO2S
Molecular Weight
283.090000
Exact Mass
282.916400
InChI
InChI=1S/C6H6INO2S/c1-10-6(9)5-3(8)2-4(7)11-5/h2H,8H2,1H3
InChIKey
UCHQIMLGNJWRBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.79
TPSA
52.32
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
2.3
Consensus LogP
1.85
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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