(3R)-3-aminobutan-1-ol

CAS No.：

Cat. No.: SC21156

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Product Name :(3R)-3-aminobutan-1-ol

Cat. No.: :SC21156

Purity / Specification :—

CAS No. :61477-40-5

MDL No. :MFCD03412694

Molecular Formula :C₄H₁₁NO

LogP :-0.60

Molecular Weight :89.14

TPSA :46.3

Category :Building Blocks

HSN Code :—

SMILES Code :C[C@@H](N)CCO

Melting Point :—

InChI Key : :AGMZSYQMSHMXLT-SCSAIBSYSA-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✓ 89.1 Da

LogP ≤ 5✓ -0.60

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

46/100

Fragment / low drug-likeness

Predicted LogP

-0.60log 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.