2-(4-morpholin-4-ylphenyl)guanidine

CAS No.：

Cat. No.: SC251576

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Product Name :2-(4-morpholin-4-ylphenyl)guanidine

Cat. No.: :SC251576

Purity / Specification :—

CAS No. :247234-41-9

MDL No. :—

Molecular Formula :C₁₁H₁₆N₄O

LogP :-0.20

Molecular Weight :220.28

TPSA :76.9

Category :API Impurities

HSN Code :—

SMILES Code :C1COCCN1C2=CC=C(C=C2)N=C(N)N

Melting Point :—

InChI Key : :ZVZJREQBRCRGLM-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✓ 220.3 Da

LogP ≤ 5✓ -0.20

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

67/100

Moderate — typical building block

Predicted LogP

-0.20log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 76.9Å² · 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.