4-[4-(chloromethyl)phenyl]morpholine;hydrochloride

CAS No.：

Cat. No.: SC251216

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Product Name :4-[4-(chloromethyl)phenyl]morpholine;hydrochloride

Cat. No.: :SC251216

Purity / Specification :—

CAS No. :1616403-02-1

MDL No. :—

Molecular Formula :C₁₁H₁₅Cl₂NO

LogP :2.68

Molecular Weight :248.15

TPSA :12.5

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C1COCCN1C2=CC=C(C=C2)CCl.Cl

Melting Point :—

InChI Key : :XQKCIBWTCRJGLE-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✓ 248.1 Da

LogP ≤ 5✓ 2.68

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

75/100

Good drug-like profile

Predicted LogP

2.68log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 12.5Å² · 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.