(1S)-4-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride
CAS No.：
Cat. No.: SC251186
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Product Name :(1S)-4-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride
Cat. No.: :SC251186
Purity / Specification :—
CAS No. :1307873-37-5
MDL No. :MFCD16295139
Molecular Formula :C9H11BrClN
LogP :2.82
Molecular Weight :248.55
TPSA :26.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1CC2=C([C@H]1N)C=CC=C2Br.Cl
Melting Point :—
InChI Key : :UDQTVGHTIXPFNZ-FVGYRXGTSA-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✓ 248.5 Da
LogP ≤ 5✓ 2.82
HBD ≤ 5✓ 2
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i75/100
Good drug-like profile
Predicted LogP
i2.82log 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.