Methyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
CAS No.：
Cat. No.: SC25850
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Product Name :Methyl 2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
Cat. No.: :SC25850
Purity / Specification :—
CAS No. :1823058-21-4
MDL No. :—
Molecular Formula :C9H10N2O2
LogP :1.10
Molecular Weight :178.19
TPSA :51.2
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)C1=NC=C2CCNC2=C1
Melting Point :—
InChI Key : :UOJYHEMJJFHHKM-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✓ 178.2 Da
LogP ≤ 5✓ 1.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i1.10log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 51.2Ų · 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.