3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

CAS No.：

Cat. No.: SC261697

Available on Request

Price on Request

Bulk Inquiry

Product Name :3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

Cat. No.: :SC261697

Purity / Specification :—

CAS No. :3028869-98-6

MDL No. :—

Molecular Formula :C₁₂H₁₉BN₂O₂

LogP :1.13

Molecular Weight :234.11

TPSA :36.3

Category :Drug Discovery

HSN Code :—

SMILES Code :CC1(C)OB(c2cnc3n2CCC3)OC1(C)C

Melting Point :—

InChI Key : :RGEAXKOUBRPMOL-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✓ 234.1 Da

LogP ≤ 5✓ 1.13

HBD ≤ 5✓ 0

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

78/100

Good drug-like profile

Predicted LogP

1.13log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 36.3Å² · 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.