6-methoxycinnoline
CAS No.：
Cat. No.: SC23206
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :6-methoxycinnoline
Cat. No.: :SC23206
Purity / Specification :—
CAS No. :17356-74-0
MDL No. :MFCD2907191
Molecular Formula :C9H8N2O
LogP :1.20
Molecular Weight :160.18
TPSA :35.0
Category :Building Blocks
HSN Code :—
SMILES Code :COc1ccc2nnccc2c1
Melting Point :—
InChI Key : :ZIZYSKVMWOOJHX-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✓ 1.20
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i66/100
Moderate — typical building block
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 35.0Ų · 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.