3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylamino]benzoic acid

CAS No.：

Cat. No.: SC251096

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Product Name :3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylamino]benzoic acid

Cat. No.: :SC251096

Purity / Specification :—

CAS No. :2253640-01-4

MDL No. :—

Molecular Formula :C₁₇H₁₄N₂O₄S₂

LogP :3.10

Molecular Weight :374.43

TPSA :133.0

Category :CRO / Contract Research

HSN Code :—

SMILES Code :Cc1nc(-c2cccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)c2)cs1

Melting Point :—

InChI Key : :KWXOAGTVYYJLJW-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 374.4 Da

LogP ≤ 5✓ 3.10

HBD ≤ 5✓ 2

HBA ≤ 10✓ 7

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

72/100

Good drug-like profile

Predicted LogP

3.10log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 133.0Å² · 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.