Ethyl 5-bromo-6-methoxy-1-benzothiophene-3-carboxylate
CAS No.：
Cat. No.: SC251004
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Product Name :Ethyl 5-bromo-6-methoxy-1-benzothiophene-3-carboxylate
Cat. No.: :SC251004
Purity / Specification :—
CAS No. :177359-90-9
MDL No. :MFCD29435414
Molecular Formula :C12H11BrO3S
LogP :3.80
Molecular Weight :315.18
TPSA :63.8
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)C1=CSC2=CC(=C(C=C21)Br)OC
Melting Point :—
InChI Key : :FTFYNVXVUPIROO-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 315.2 Da
LogP ≤ 5✓ 3.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i87/100
Excellent drug-like profile
Predicted LogP
i3.80log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 63.8Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.