2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CAS No.：
Cat. No.: SC251089
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
Cat. No.: :SC251089
Purity / Specification :—
CAS No. :338746-11-5
MDL No. :—
Molecular Formula :C10H7ClN2O3S
LogP :2.90
Molecular Weight :270.69
TPSA :102.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=C(O)CSc1nc(-c2cccc(Cl)c2)no1
Melting Point :—
InChI Key : :BGDMJXZYDKFEGJ-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✓ 270.7 Da
LogP ≤ 5✓ 2.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i83/100
Good drug-like profile
Predicted LogP
i2.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS− unlikely
TPSA 102.0Ų · 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.