3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CAS No.：
Cat. No.: SC23277
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Product Name :3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Cat. No.: :SC23277
Purity / Specification :—
CAS No. :55701-05-8
MDL No. :MFCD0013793
Molecular Formula :C8H10Cl2O2
LogP :3.30
Molecular Weight :209.07
TPSA :37.3
Category :Agrochemicals
HSN Code :—
SMILES Code :CC1(C)C(C=C(Cl)Cl)C1C(=O)O
Melting Point :—
InChI Key : :LLMLSUSAKZVFOA-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✓ 209.1 Da
LogP ≤ 5✓ 3.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i3.30log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 37.3Ų · 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.