Cas no 874297-80-0 (4-(3-Cyclopentyllureido)phenylboronic acid, pinacol ester)

4-(3-Cyclopentyllureido)phenylboronic acid, pinacol ester structure
874297-80-0 structure
Product Name:4-(3-Cyclopentyllureido)phenylboronic acid, pinacol ester
CAS No:874297-80-0
MF:C18H27BN2O3
MW:330.229584932327
MDL:MFCD09027290
CID:719792
PubChem ID:16125165
Update Time:2025-04-19

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

Names and Identifiers

    • 4-(3-Cyclopentylureido)benzeneboronic acid pinacol ester
    • 1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
    • 1-CYCLOPENTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
    • 4-(3-Cyclopentyllureido)phenylboronic acid, pinacol ester
    • Urea,N-cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
    • 4-(3-Cyclopentyllureido)phenylboronic acid pinacol ester
    • OR5968
    • AX8230643
    • V8489
    • ST24021306
    • Urea,N-cyclopentyl-N'-[4-(4,4,5,5-t
    • N-Cyclopentyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • AKOS015893499
    • 1-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, AldrichCPR
    • A853231
    • DTXSID10583112
    • 3-CYCLOPENTYL-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
    • SCHEMBL1841107
    • AS-55265
    • A12908
    • 4-[(Cyclopentylcarbamoyl)amino]benzeneboronic acid, pinacol ester
    • AKOS015999391
    • FT-0687792
    • CS-0175474
    • MFCD09027290
    • SB83299
    • 874297-80-0
    • ZJB29780
    • MDL： MFCD09027290
    • Inchi： 1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)13-9-11-15(12-10-13)21-16(22)20-14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H2,20,21,22)
    • InChI Key： XIRYAWDMLJRGHR-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC(=CC=2)NC(NC2CCCC2)=O)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 330.21100
  • Monoisotopic Mass: 330.2114729g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 439
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.6

Experimental Properties

  • PSA: 59.59000
  • LogP: 3.51380

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

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi

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

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