2-bromo-3-(2-methylcyclopropyl)imino-3-methylcyclopropan-1-amine
CAS No.：
Cat. No.: SC251509
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Product Name :2-bromo-3-(2-methylcyclopropyl)imino-3-methylcyclopropan-1-amine
Cat. No.: :SC251509
Purity / Specification :—
CAS No. :3078633-23-2
MDL No. :—
Molecular Formula :C10H12BrN
LogP :3.08
Molecular Weight :226.12
TPSA :26.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC1(c2ccc(N)cc2Br)CC1
Melting Point :—
InChI Key : :MUBJZOXIDYNSTI-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✓ 226.1 Da
LogP ≤ 5✓ 3.08
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i3.08log units
Lipophilic
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.