4-phenyloxane-2,6-dione
CAS No.：
Cat. No.: SC23393
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :4-phenyloxane-2,6-dione
Cat. No.: :SC23393
Purity / Specification :—
CAS No. :4160-80-9
MDL No. :MFCD1807185
Molecular Formula :C11H10O3
LogP :1.30
Molecular Weight :190.20
TPSA :43.4
Category :Building Blocks
HSN Code :—
SMILES Code :O=C1CC(c2ccccc2)CC(=O)O1
Melting Point :—
InChI Key : :DNWAYXNMUKHONN-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✓ 190.2 Da
LogP ≤ 5✓ 1.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i1.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 43.4Ų · 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.