Cas no 874291-03-9 (4-(3-Isobutylureido)phenylboronic acid, pinacol ester)

4-(3-Isobutylureido)phenylboronic acid, pinacol ester structure
874291-03-9 structure
Product Name:4-(3-Isobutylureido)phenylboronic acid, pinacol ester
CAS No:874291-03-9
MF:C17H27BN2O3
MW:318.218884706497
MDL:MFCD09027289
CID:719921
Update Time:2025-04-19

4-(3-Isobutylureido)phenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 1-Isobutyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
    • 4-(3-Isobutylureido)benzeneboronic acid pinacol ester
    • 1-(2-methylpropyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • 4-(3-Isobutylureido)phenylboronic acid, pinacol ester
    • 4-[(Isobutylcarbamoyl)amino]benzeneboronic acid, pinacol ester
    • Urea,N-(2-methylpropyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
    • OR3260
    • AX8239954
    • N-(2-Methylpropyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-diox
    • MDL: MFCD09027289
    • Inchi: 1S/C17H27BN2O3/c1-12(2)11-19-15(21)20-14-9-7-13(8-10-14)18-22-16(3,4)17(5,6)23-18/h7-10,12H,11H2,1-6H3,(H2,19,20,21)
    • InChI Key: CSTLSBXZBKRPIS-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(=CC=2)NC(NCC(C)C)=O)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 318.21100
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 402
  • Topological Polar Surface Area: 59.6

Experimental Properties

  • PSA: 59.59000
  • LogP: 3.22720

4-(3-Isobutylureido)phenylboronic acid, pinacol ester Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

4-(3-Isobutylureido)phenylboronic acid, pinacol ester Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(3-Isobutylureido)phenylboronic acid, pinacol ester Pricemore >>

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