2-bromo-6-methylbenzaldehyde
CAS No.：
Cat. No.: SC24746
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2-bromo-6-methylbenzaldehyde
Cat. No.: :SC24746
Purity / Specification :—
CAS No. :176504-70-4
MDL No. :—
Molecular Formula :C8H7BrO
LogP :2.40
Molecular Weight :199.05
TPSA :17.1
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cccc(Br)c1C=O
Melting Point :—
InChI Key : :VGOIJJANJVWLQO-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✓ 199.0 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 17.1Ų · 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.