2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS No.：

Cat. No.: SC23511

Available on Request

Price on Request

Bulk Inquiry

Product Name :2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Cat. No.: :SC23511

Purity / Specification :—

CAS No. :1189042-70-3

MDL No. :MFCD1514359

Molecular Formula :C₁₂H₁₅BFNO₄

LogP :2.03

Molecular Weight :267.06

TPSA :64.3

Category :Building Blocks

HSN Code :—

SMILES Code :CC1(C)OB(c2cccc([N+](=O)[O-])c2F)OC1(C)C

Melting Point :—

InChI Key : :RNRPIYYFOPOLSL-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✓ 267.1 Da

LogP ≤ 5✓ 2.03

HBD ≤ 5✓ 0

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

94/100

Excellent drug-like profile

Predicted LogP

2.03log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 64.3Å² · 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.