2,6-dimethyl-2,3-dihydroinden-1-one
CAS No.：
Cat. No.: SC25927
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2,6-dimethyl-2,3-dihydroinden-1-one
Cat. No.: :SC25927
Purity / Specification :—
CAS No. :66309-83-9
MDL No. :MFCD16301022
Molecular Formula :C11H12O
LogP :2.60
Molecular Weight :160.22
TPSA :17.1
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1ccc2c(c1)C(=O)C(C)C2
Melting Point :—
InChI Key : :MFCLOAFNUWAGGB-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✓ 160.2 Da
LogP ≤ 5✓ 2.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i2.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 17.1Ų · 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.