Methyl 7-bromo-3H-benzimidazole-4-carboxylate
CAS No.：
Cat. No.: SC25932
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Methyl 7-bromo-3H-benzimidazole-4-carboxylate
Cat. No.: :SC25932
Purity / Specification :—
CAS No. :1806667-26-4
MDL No. :MFCD3201222
Molecular Formula :C9H7BrN2O2
LogP :2.00
Molecular Weight :255.07
TPSA :55.0
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)c1ccc(Br)c2[nH]cnc12
Melting Point :—
InChI Key : :HPCIVMQCKFDBDP-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✓ 255.1 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i89/100
Excellent drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.0Ų · 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.