Cas no 26973-80-8 (7-Bromoacetylaminocephalosporanic Acid)

7-Bromoacetylaminocephalosporanic Acid is a key intermediate in the synthesis of cephalosporin antibiotics, valued for its reactive bromoacetyl group that facilitates further derivatization. This compound is particularly useful in the development of semi-synthetic cephalosporins, enabling precise modifications to enhance antimicrobial activity or pharmacokinetic properties. Its high purity and stability make it a reliable building block for pharmaceutical research and production. The bromoacetyl moiety allows for selective coupling with nucleophiles, offering flexibility in designing novel antibiotic derivatives. This intermediate is essential for advancing cephalosporin-based therapies, contributing to the development of compounds with improved efficacy and resistance profiles.
7-Bromoacetylaminocephalosporanic Acid structure
26973-80-8 structure
Product Name:7-Bromoacetylaminocephalosporanic Acid
CAS No:26973-80-8
MF:C12H13BrN2O6S
MW:393.210421323776
CID:250358
PubChem ID:12962225
Update Time:2025-06-08

7-Bromoacetylaminocephalosporanic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(2-bromoacetyl)amino]-8-oxo-, (6R,7R)-
    • 7-Bromoacetylaminocephalosporanic Acid
    • Cefathiamidine Impurity 1
    • (6R,7R)-3-(acetyloxymethyl)-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 7a-Methyl-5,10-norethindrone
    • 7a-Methyl-D5,10-norethindrone
    • 7-bromoacetamidocephalosporanic acid
    • 7-Mandelamidocephalosporanic acid
    • LIVIAL
    • LIVIELLA
    • Org OD 14
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-bromoacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)
    • 26973-80-8
    • 7-(2-Bromoacetamido)cephalosporanic acid
    • DTXSID90514080
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(bromoacetyl)amino]-8-oxo-, (6R,7R)-
    • (6R,7R)-3-[(Acetyloxy)methyl]-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-[(Acetyloxy)methyl]-7-(2-bromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 4N6P66J4H2
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(bromoacetyl)amino]-8-oxo-, (6R-trans)-
    • (6R, 7R)-3-(acetyloxymethyl)-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • (6R,7R)-3-(acetoxymethyl)-7-(2-bromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(2-bromoacetyl)amino]-8-oxo-, (6R,7R)-
    • SCHEMBL2334986
    • (6R,7R)-3-(acetoxymethyl)-7-(2-bromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • 7-(alpha-Bromoacetamido)cephalosporanic acid
    • (6R-trans)-3-[(Acetyloxy)methyl]-7-[(bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; 7-(2-Bromoacetamido)cephalosporanic Acid;
    • Inchi： 1S/C12H13BrN2O6S/c1-5(16)21-3-6-4-22-11-8(14-7(17)2-13)10(18)15(11)9(6)12(19)20/h8,11H,2-4H2,1H3,(H,14,17)(H,19,20)/t8-,11-/m1/s1
    • InChI Key： VDMWZOLTJWUSJT-LDYMZIIASA-N
    • SMILES： BrCC(N[C@@H]1C(N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]21)=O)=O

Computed Properties

  • Exact Mass: 391.96800
  • Monoisotopic Mass: 391.96777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 578
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 141.80000
  • LogP: 0.46120

7-Bromoacetylaminocephalosporanic Acid Pricemore >>

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