(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine
CAS No.：
Cat. No.: SC251189
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Product Name :(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine
Cat. No.: :SC251189
Purity / Specification :—
CAS No. :1213110-51-0
MDL No. :MFCD07373955
Molecular Formula :C9H10BrN
LogP :1.90
Molecular Weight :212.09
TPSA :26.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1CC2=C([C@H]1N)C=C(C=C2)Br
Melting Point :—
InChI Key : :DUPHONQIBOZOHL-VIFPVBQESA-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✓ 212.1 Da
LogP ≤ 5✓ 1.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i1.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 26.0Ų · 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.