4-amino-2-methylbutan-2-ol

CAS No.：

Cat. No.: SC24629

Available on Request

Price on Request

Bulk Inquiry

Product Name :4-amino-2-methylbutan-2-ol

Cat. No.: :SC24629

Purity / Specification :—

CAS No. :26734-08-7

MDL No. :MFCD0012917

Molecular Formula :C₅H₁₃NO

LogP :-0.40

Molecular Weight :103.17

TPSA :46.3

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C)(O)CCN

Melting Point :—

InChI Key : :PUSZHIWAFZLOMD-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✓ 103.2 Da

LogP ≤ 5✓ -0.40

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

47/100

Fragment / low drug-likeness

Predicted LogP

-0.40log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 46.3Å² · 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.