2-(2-amino-2-methyl-1,3-disulfanyl-propan-2-ylidene)cyclopropane-1-carboxylic acid

CAS No.：

Cat. No.: SC251307

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Product Name :2-(2-amino-2-methyl-1,3-disulfanyl-propan-2-ylidene)cyclopropane-1-carboxylic acid

Cat. No.: :SC251307

Purity / Specification :—

CAS No. :439578-97-7

MDL No. :—

Molecular Formula :C₁₂H₁₂N₂O₃S₂

LogP :—

Molecular Weight :296.36

TPSA :—

Category :CRO / Contract Research

HSN Code :—

SMILES Code :COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)O

Melting Point :—

InChI Key : :—

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

✗ FAIL

MW ≤ 500 Da✓ 296.4 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

94/100

Excellent drug-like profile

Predicted LogP

N/A

CNS Permeability

Clark model · J Pharm Sci, 1999

TPSA data required

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.