Tert-butyl N-[2-amino-1-(2,6-difluorophenyl)ethyl]carbamate
CAS No.：
Cat. No.: SC261730
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Tert-butyl N-[2-amino-1-(2,6-difluorophenyl)ethyl]carbamate
Cat. No.: :SC261730
Purity / Specification :—
CAS No. :1016696-79-9
MDL No. :—
Molecular Formula :C13H18F2N2O2
LogP :1.70
Molecular Weight :272.30
TPSA :64.4
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)NC(CN)c1c(F)cccc1F
Melting Point :—
InChI Key : :NMTQUMBNQBOWCU-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✓ 272.3 Da
LogP ≤ 5✓ 1.70
HBD ≤ 5✓ 2
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i88/100
Excellent drug-like profile
Predicted LogP
i1.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 64.4Ų · 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.