(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CAS No.：
Cat. No.: SC251032
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Product Name :(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
Cat. No.: :SC251032
Purity / Specification :—
CAS No. :620175-39-5
MDL No. :—
Molecular Formula :C22H21N3O3
LogP :2.50
Molecular Weight :375.43
TPSA :75.4
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)CC4)N=C3
Melting Point :—
InChI Key : :QXTWSUQCXCWEHF-JXMROGBWSA-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✓ 375.4 Da
LogP ≤ 5✓ 2.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i96/100
Excellent drug-like profile
Predicted LogP
i2.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 75.4Ų · 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.