(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride

CAS No.：

Cat. No.: SC24520

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Product Name :(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid;dihydrochloride

Cat. No.: :SC24520

Purity / Specification :—

CAS No. :1414976-15-0

MDL No. :1414976-15-0

Molecular Formula :C₁₁H₁₅Cl₂N₃O₂

LogP :1.67

Molecular Weight :292.16

TPSA :92.0

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1cc(C[C@@H](N)C(=O)O)cc2cn[nH]c12.Cl.Cl

Melting Point :—

InChI Key : :XMOLCIKQAFPBAH-KLQYNRQASA-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✓ 292.2 Da

LogP ≤ 5✓ 1.67

HBD ≤ 5✓ 5

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

82/100

Good drug-like profile

Predicted LogP

1.67log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS− unlikely

TPSA 92.0Å² · 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.