2-phenylmethoxycyclopropane-1-carboxylic acid
CAS No.：
Cat. No.: SC251072
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Product Name :2-phenylmethoxycyclopropane-1-carboxylic acid
Cat. No.: :SC251072
Purity / Specification :—
CAS No. :92016-91-6
MDL No. :MFCD20650857
Molecular Formula :C11H12O3
LogP :1.30
Molecular Weight :192.21
TPSA :46.5
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1C(C1OCC2=CC=CC=C2)C(=O)O
Melting Point :—
InChI Key : :RIAXPUGLCKTZFG-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✓ 192.2 Da
LogP ≤ 5✓ 1.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i1.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 46.5Ų · 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.