1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
CAS No.：
Cat. No.: SC251067
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
Cat. No.: :SC251067
Purity / Specification :—
CAS No. :1427587-32-3
MDL No. :MFCD2310612
Molecular Formula :C16H22BNO3
LogP :1.89
Molecular Weight :287.17
TPSA :38.8
Category :CRO / Contract Research
HSN Code :—
SMILES Code :B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)CC3)C
Melting Point :—
InChI Key : :KBKLZANEYMGZGD-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✓ 287.2 Da
LogP ≤ 5✓ 1.89
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i91/100
Excellent drug-like profile
Predicted LogP
i1.89log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.8Ų · 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.