(4S)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CAS No.：
Cat. No.: SC23286
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Product Name :(4S)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
Cat. No.: :SC23286
Purity / Specification :—
CAS No. :1035093-81-2
MDL No. :MFCD0875257
Molecular Formula :C9H12ClNO
LogP :1.89
Molecular Weight :185.65
TPSA :35.3
Category :Building Blocks
HSN Code :—
SMILES Code :Cl.N[C@H]1CCOc2ccccc21
Melting Point :—
InChI Key : :BVMKYKMJUZEGBU-QRPNPIFTSA-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✓ 185.7 Da
LogP ≤ 5✓ 1.89
HBD ≤ 5✓ 2
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i1.89log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 35.3Ų · 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.