(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CAS No.：
Cat. No.: SC251065
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Product Name :(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
Cat. No.: :SC251065
Purity / Specification :—
CAS No. :64987-85-5
MDL No. :MFCD0000963
Molecular Formula :C16H18N2O6
LogP :-0.10
Molecular Weight :334.33
TPSA :101.0
Category :CDMO
HSN Code :—
SMILES Code :C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CCC3=O
Melting Point :—
InChI Key : :JJAHTWIKCUJRDK-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✓ 334.3 Da
LogP ≤ 5✓ -0.10
HBD ≤ 5✓ 0
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i-0.10log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 101.0Ų · 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.