Spiro[2.3]hexan-6-ol
CAS No.：
Cat. No.: SC251315
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Product Name :Spiro[2.3]hexan-6-ol
Cat. No.: :SC251315
Purity / Specification :—
CAS No. :21816-25-1
MDL No. :—
Molecular Formula :C6H10O
LogP :0.70
Molecular Weight :98.14
TPSA :20.2
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1CC2(C1O)CC2
Melting Point :—
InChI Key : :RUZFXXZSPJQNDV-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 98.1 Da
LogP ≤ 5✓ 0.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i48/100
Fragment / low drug-likeness
Predicted LogP
i0.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 20.2Ų · 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.