3,3,5,5-tetramethylcyclohexan-1-ol

CAS No.：

Cat. No.: SC251062

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Product Name :3,3,5,5-tetramethylcyclohexan-1-ol

Cat. No.: :SC251062

Purity / Specification :—

CAS No. :2650-40-0

MDL No. :MFCD00001500

Molecular Formula :C₁₀H₂₀O

LogP :3.00

Molecular Weight :156.27

TPSA :20.2

Category :CRO / Contract Research

HSN Code :—

SMILES Code :CC1(C)CC(O)CC(C)(C)C1

Melting Point :—

InChI Key : :PIQXIIHPQBQVTP-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✓ 156.3 Da

LogP ≤ 5✓ 3.00

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

59/100

Moderate — typical building block

Predicted LogP

3.00log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 20.2Å² · 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.