[4-amino-3-(hydroxymethyl)phenyl]methanol

CAS No.：

Cat. No.: SC25830

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Product Name :[4-amino-3-(hydroxymethyl)phenyl]methanol

Cat. No.: :SC25830

Purity / Specification :—

CAS No. :1009314-88-8

MDL No. :MFCD20703082

Molecular Formula :C₈H₁₁NO₂

LogP :0.25

Molecular Weight :153.18

TPSA :66.5

Category :Building Blocks

HSN Code :—

SMILES Code :C1=CC(=C(C=C1CO)CO)N

Melting Point :—

InChI Key : :ZYJKONDZYOWOHE-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✓ 153.2 Da

LogP ≤ 5✓ 0.25

HBD ≤ 5✓ 3

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

58/100

Moderate — typical building block

Predicted LogP

0.25log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 66.5Å² · 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.