Methyl 4-amino-1-methylcyclohexane-1-carboxylate;hydrochloride
CAS No.：
Cat. No.: SC251311
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Product Name :Methyl 4-amino-1-methylcyclohexane-1-carboxylate;hydrochloride
Cat. No.: :SC251311
Purity / Specification :—
CAS No. :1202411-39-9
MDL No. :—
Molecular Formula :C9H18ClNO2
LogP :1.49
Molecular Weight :207.70
TPSA :52.3
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC1(CCC(CC1)N)C(=O)OC.Cl
Melting Point :—
InChI Key : :FCTFNYQBCMDTBK-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✓ 207.7 Da
LogP ≤ 5✓ 1.49
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i1.49log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 52.3Ų · 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.