1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride

CAS No.：

Cat. No.: SC251571

Available on Request

Price on Request

Bulk Inquiry

Product Name :1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride

Cat. No.: :SC251571

Purity / Specification :—

CAS No. :866783-13-3

MDL No. :—

Molecular Formula :C₁₂H₁₈ClNO₂

LogP :1.98

Molecular Weight :243.73

TPSA :30.5

Category :API Impurities

HSN Code :—

SMILES Code :CNC[C@H]1CC2=CC(=C(C=C12)OC)OC.Cl

Melting Point :—

InChI Key : :SWSAIQSQSDOONK-SBSPUUFOSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 243.7 Da

LogP ≤ 5✓ 1.98

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

78/100

Good drug-like profile

Predicted LogP

1.98log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 30.5Å² · 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.