5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

CAS No.：

Cat. No.: SC251545

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Product Name :5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

Cat. No.: :SC251545

Purity / Specification :—

CAS No. :143322-57-0

MDL No. :—

Molecular Formula :C₁₄H₁₇BrN₂

LogP :3.60

Molecular Weight :293.21

TPSA :19.0

Category :API Impurities

HSN Code :—

SMILES Code :CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12

Melting Point :—

InChI Key : :JCXOJXALBTZEFE-GFCCVEGCSA-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✓ 293.2 Da

LogP ≤ 5✓ 3.60

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

73/100

Good drug-like profile

Predicted LogP

3.60log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 19.0Å² · 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.