2,2-dimethyl-3H-1,3-benzoxazin-4-one
CAS No.：
Cat. No.: SC23486
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2,2-dimethyl-3H-1,3-benzoxazin-4-one
Cat. No.: :SC23486
Purity / Specification :—
CAS No. :30914-88-6
MDL No. :MFCD0076778
Molecular Formula :C10H11NO2
LogP :1.70
Molecular Weight :177.20
TPSA :38.3
Category :Building Blocks
HSN Code :—
SMILES Code :CC1(C)NC(=O)c2ccccc2O1
Melting Point :—
InChI Key : :RXDGEARQCVVVIF-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✓ 177.2 Da
LogP ≤ 5✓ 1.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i69/100
Moderate — typical building block
Predicted LogP
i1.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.3Ų · 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.