![CAS 1105187-36-7 Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105187-36-7.gif)
CAS RN: 1105187-36-7
Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251223 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-011552
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1105187-36-7 / methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate | 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester | MFCD11973824
Basic Information
CAS
1105187-36-7
Multi CAS
Yes
Molecular Formula
C8H6BrNO2S
Molecular Weight
260.110000
Exact Mass
258.930260
SMILES
COC(=O)C1=CC2=C(N1)C(=CS2)Br
InChI
InChI=1S/C8H6BrNO2S/c1-12-8(11)5-2-6-7(10-5)4(9)3-13-6/h2-3,10H,1H3
InChIKey
FZMSYEZKZFUHPQ-UHFFFAOYSA-N
Synonyms
Methyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester
MFCD11973824
SC2771
SCHEMBL1847169
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
8
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.22
TPSA
42.09
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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