5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

CAS No.：

Cat. No.: SC22190

Available on Request

Price on Request

Bulk Inquiry

Product Name :5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

Cat. No.: :SC22190

Purity / Specification :—

CAS No. :1062174-44-0

MDL No. :MFCD16995801

Molecular Formula :C₁₄H₂₀BNO₂

LogP :1.95

Molecular Weight :245.13

TPSA :30.5

Category :Building Blocks

HSN Code :—

SMILES Code :CC1(C)OB(c2ccc3c(c2)CCN3)OC1(C)C

Melting Point :—

InChI Key : :ZYOHYGQNRQMVMG-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✓ 245.1 Da

LogP ≤ 5✓ 1.95

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

81/100

Good drug-like profile

Predicted LogP

1.95log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 30.5Å² · 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.