Ethyl 4-phenylbutanoate
CAS No.：
Cat. No.: SC18056
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Ethyl 4-phenylbutanoate
Cat. No.: :SC18056
Purity / Specification :—
CAS No. :10031-93-3
MDL No. :MFCD00026923
Molecular Formula :C12H16O2
LogP :3.10
Molecular Weight :192.26
TPSA :26.3
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)CCCc1ccccc1
Melting Point :—
InChI Key : :GGFNXKFGVQQNRV-UHFFFAOYSA-N
Boiling Point :275.00 to 276.00 °C. @ 760.00 mm Hg
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 192.3 Da
LogP ≤ 5✓ 3.10
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i66/100
Moderate — typical building block
Predicted LogP
i3.10log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.3Ų · 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.