3,4-dihydro-2H-chromen-4-amine

CAS No.：

Cat. No.: SC261781

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Product Name :3,4-dihydro-2H-chromen-4-amine

Cat. No.: :SC261781

Purity / Specification :—

CAS No. :188198-38-1

MDL No. :MFCD06761755

Molecular Formula :C₉H₁₁NO

LogP :0.90

Molecular Weight :149.19

TPSA :35.3

Category :CDMO

HSN Code :—

SMILES Code :N[C@H]1CCOc2ccccc21

Melting Point :—

InChI Key : :LCOFMNJNNXWKOC-QMMMGPOBSA-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✓ 149.2 Da

LogP ≤ 5✓ 0.90

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

60/100

Moderate — typical building block

Predicted LogP

0.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 35.3Å² · 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.