3-chloro-2-nitrobenzaldehyde
CAS No.：
Cat. No.: SC23280
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :3-chloro-2-nitrobenzaldehyde
Cat. No.: :SC23280
Purity / Specification :—
CAS No. :22233-52-9
MDL No. :MFCD0679795
Molecular Formula :C7H4ClNO3
LogP :1.80
Molecular Weight :185.56
TPSA :62.9
Category :Building Blocks
HSN Code :—
SMILES Code :O=Cc1cccc(Cl)c1[N+](=O)[O-]
Melting Point :—
InChI Key : :WKHILFGJMAXBNZ-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✓ 185.6 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i79/100
Good drug-like profile
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 62.9Ų · 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.