N-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine

CAS No.：

Cat. No.: SC261710

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Product Name :N-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-6-methoxypyridin-2-amine

Cat. No.: :SC261710

Purity / Specification :—

CAS No. :1597443-57-6

MDL No. :—

Molecular Formula :C₂₁H₁₈Br₂FN₃O

LogP :6.30

Molecular Weight :507.20

TPSA :39.1

Category :Drug Discovery

HSN Code :—

SMILES Code :COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1

Melting Point :—

InChI Key : :GAQWKARFCURWKO-HNNXBMFYSA-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

✗ FAIL

MW ≤ 500 Da✗ 507.2 Da

LogP ≤ 5✗ 6.30

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

49/100

Fragment / low drug-likeness

Predicted LogP

6.30log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 39.1Å² · 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.