(2'S,3S,4'S)-N-methylspiro[bicyclo[3.1.0]hexane-2,5'-bicyclo[2.1.0]pentane]-2'-ol

CAS No.：

Cat. No.: SC18035

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Product Name :(2'S,3S,4'S)-N-methylspiro[bicyclo[3.1.0]hexane-2,5'-bicyclo[2.1.0]pentane]-2'-ol

Cat. No.: :SC18035

Purity / Specification :—

CAS No. :1261467-62-2

MDL No. :MFCD18410097

Molecular Formula :C₁₁H₁₁NO

LogP :2.00

Molecular Weight :173.22

TPSA :46.3

Category :Building Blocks

HSN Code :—

SMILES Code :NCc1ccc2cccc(O)c2c1

Melting Point :—

InChI Key : :OYPZXMWGNIRYCW-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✓ 173.2 Da

LogP ≤ 5✓ 2.00

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

70/100

Good drug-like profile

Predicted LogP

2.00log units

Optimal range (0–3)

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.