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3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionic acid | 83592-10-3

Product name:3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionic acid

CAS No:83592-10-3
MF:C25H35N3O6S
MW:505.6269
CID:60585
PubChem ID:29973957
Names and Identifiers
  • 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionic acid
  • 4-[[6-[[5-(Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-1-oxohexyl]oxy]benzenepropanoic acid
  • 3-[4-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]phenyl]propanoic acid
  • 1H-Thieno[3,4-d]imidazole,benzenepropanoic acid deriv.
  • A)]-4-[[6-[[5-(Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-1-oxohexyl]oxy]benzenepropanoic Acid
  • A,4
  • A,6a
  • 83592-10-3
  • 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionic Acid
  • DTXSID70652474
  • 3-(4-{[6-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}phenyl)propanoic acid
  • SCHEMBL19514692
  • 3-(4-((6-(5-((3AS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoyl)oxy)phenyl)propanoic acid
  • AKOS030242855
  • InChIKey:OOTNIMUKQVRCGZ-SKPFHBQLSA-N
  • Inchi:1S/C25H35N3O6S/c29-21(7-4-3-6-20-24-19(16-35-20)27-25(33)28-24)26-15-5-1-2-8-23(32)34-18-12-9-17(10-13-18)11-14-22(30)31/h9-10,12-13,19-20,24H,1-8,11,14-16H2,(H,26,29)(H,30,31)(H2,27,28,33)/t19-,20-,24-/m0/s1
  • SMILES:OC(CCC1C=CC(OC(CCCCCNC(CCCC[C@@H]2SC[C@@H]3NC(N[C@H]23)=O)=O)=O)=CC=1)=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 505.22500
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Rotatable Bond Count: 16
  • Monoisotopic Mass: 505.22465702g/mol
  • Heavy Atom Count: 35
  • Complexity: 728
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.3
  • Topological Polar Surface Area: 159Ų

Experimental Properties

  • LogP: 4.06010
  • PSA: 159.13000
  • Refractive Index: 1.557
  • Boiling Point: 826.822 °C at 760 mmHg
  • Melting Point: 199-200°C
  • Flash Point: 453.846 °C
  • Color/Form: White solid
  • Density: 1.225
Price Data Available
Brand:scbt Supplier:圣克鲁斯生物技术
No. Purity Stock Specification Price update time operate
sc-209460-25mg 25mg ¥2708.00 05 Sep. 2023
sc-209460-25 mg 25mg ¥2,708.00 11 Jul. 2023
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
B394280-250mg 0.0 250mg $ 1487.00/ ¥10,800.38 18 Apr. 2023
B394280-100mg 0.0 100mg $ 672.00/ ¥4,880.87 18 Apr. 2023
B394280-50mg 0.0 50mg $ 351.00/ ¥2,549.38 18 Apr. 2023
B394280-25mg 0.0 25mg $ 190.00/ ¥1,380.01 18 Apr. 2023
B394280-10mg 0.0 10mg $ 150.00/ ¥1,089.48 18 Apr. 2023
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