Methyl 4-fluoro-1H-indole-5-carboxylate
CAS No.：
Cat. No.: SC251400
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Product Name :Methyl 4-fluoro-1H-indole-5-carboxylate
Cat. No.: :SC251400
Purity / Specification :—
CAS No. :1252782-43-6
MDL No. :—
Molecular Formula :C10H8FNO2
LogP :2.00
Molecular Weight :193.18
TPSA :42.1
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)C1=C(C2=C(C=C1)NC=C2)F
Melting Point :—
InChI Key : :XMAMXSQVTKMOPG-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✓ 193.2 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 42.1Ų · 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.