1-(2,4-dihydroxyphenyl)hexan-1-one
CAS No.：
Cat. No.: SC18049
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :1-(2,4-dihydroxyphenyl)hexan-1-one
Cat. No.: :SC18049
Purity / Specification :—
CAS No. :3144-54-5
MDL No. :MFCD00002281
Molecular Formula :C12H16O3
LogP :3.40
Molecular Weight :208.26
TPSA :57.5
Category :Building Blocks
HSN Code :—
SMILES Code :CCCCCC(=O)c1ccc(O)cc1O
Melting Point :—
InChI Key : :SKUFHZAEFGZSQK-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✓ 208.3 Da
LogP ≤ 5✓ 3.40
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i3.40log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 57.5Ų · 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.