Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

CAS No.：

Cat. No.: SC25935

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Product Name :Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

Cat. No.: :SC25935

Purity / Specification :—

CAS No. :175137-08-3

MDL No. :MFCD00068133

Molecular Formula :C₁₂H₁₀FNO₂S

LogP :3.40

Molecular Weight :251.28

TPSA :80.6

Category :Building Blocks

HSN Code :—

SMILES Code :COC(=O)c1sc(-c2ccc(F)cc2)cc1N

Melting Point :—

InChI Key : :YIBRKYVKVWTHEM-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 251.3 Da

LogP ≤ 5✓ 3.40

HBD ≤ 5✓ 1

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

83/100

Good drug-like profile

Predicted LogP

3.40log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 80.6Å² · 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.