Methyl 2-chlorothiophene-3-carboxylate
CAS No.：
Cat. No.: SC24553
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Methyl 2-chlorothiophene-3-carboxylate
Cat. No.: :SC24553
Purity / Specification :—
CAS No. :76360-42-4
MDL No. :MFCD1469813
Molecular Formula :C6H5ClO2S
LogP :2.40
Molecular Weight :176.61
TPSA :54.5
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)c1ccsc1Cl
Melting Point :—
InChI Key : :GVIPSISZNQFLRF-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✓ 176.6 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 54.5Ų · 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.