1-azepan-1-ylcycloheptane
CAS No.：
Cat. No.: SC20094
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Product Name :1-azepan-1-ylcycloheptane
Cat. No.: :SC20094
Purity / Specification :—
CAS No. :245487-40-5
MDL No. :MFCD00039024
Molecular Formula :C10H22Cl2N2
LogP :2.07
Molecular Weight :241.20
TPSA :15.3
Category :Building Blocks
HSN Code :—
SMILES Code :C1CCC(N2CCNCC2)CC1.Cl.Cl
Melting Point :—
InChI Key : :LWHQSEFYDDKPDO-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✓ 241.2 Da
LogP ≤ 5✓ 2.07
HBD ≤ 5✓ 3
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i2.07log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 15.3Ų · 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.