7-bromofuro[3,2-b]pyridine-5-carboxylic acid

CAS No.：

Cat. No.: SC261727

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Product Name :7-bromofuro[3,2-b]pyridine-5-carboxylic acid

Cat. No.: :SC261727

Purity / Specification :—

CAS No. :2227206-00-8

MDL No. :—

Molecular Formula :C₈H₄BrNO₃

LogP :1.90

Molecular Weight :242.03

TPSA :63.3

Category :Drug Discovery

HSN Code :—

SMILES Code :O=C(O)c1cc(Br)c2occc2n1

Melting Point :—

InChI Key : :BGOBAHIBKUBFAE-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✓ 242.0 Da

LogP ≤ 5✓ 1.90

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

87/100

Excellent drug-like profile

Predicted LogP

1.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 63.3Å² · 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.