Methyl 9H-pyrido[3,4-b]indole-1-carboxylate

CAS No.：

Cat. No.: SC251342

Available on Request

Price on Request

Bulk Inquiry

Product Name :Methyl 9H-pyrido[3,4-b]indole-1-carboxylate

Cat. No.: :SC251342

Purity / Specification :—

CAS No. :3464-66-2

MDL No. :—

Molecular Formula :C₁₃H₁₀N₂O₂

LogP :2.50

Molecular Weight :226.24

TPSA :55.0

Category :CRO / Contract Research

HSN Code :—

SMILES Code :COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23

Melting Point :—

InChI Key : :FRNCTTUBAHKEBZ-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✓ 226.2 Da

LogP ≤ 5✓ 2.50

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

84/100

Good drug-like profile

Predicted LogP

2.50log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 55.0Å² · 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.