N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline

CAS No.：

Cat. No.: SC261711

Available on Request

Price on Request

Bulk Inquiry

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

Cat. No.: :SC261711

Purity / Specification :—

CAS No. :1235481-90-9

MDL No. :—

Molecular Formula :C₂₂H₁₉Br₂FN₂O

LogP :6.70

Molecular Weight :506.21

TPSA :26.2

Category :Drug Discovery

HSN Code :—

SMILES Code :COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F

Melting Point :—

InChI Key : :XNLTWMQBJFWQOU-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

✗ FAIL

MW ≤ 500 Da✗ 506.2 Da

LogP ≤ 5✗ 6.70

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

46/100

Fragment / low drug-likeness

Predicted LogP

6.70log units

Highly lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 26.2Å² · 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.