Cas no 70950-46-8 (Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester)

Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester structure
70950-46-8 structure
Product Name:Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester
CAS No:70950-46-8
MF:C29H37BrClNO5
MW:594.964787244797
CID:562131
PubChem ID:10153224
Update Time:2025-04-19

Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester
    • DODECYL 3-(2-BROMO-3-(4-METHOXYPHENYL)-3-OXOPROPANAMIDO)-4-CHLOROBENZOATE
    • dodecyl 3-[[2-bromo-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate
    • 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid dodecyl ester
    • A837036
    • dodecyl 3-[[2-bromanyl-3-(4-methoxyphenyl)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate
    • FT-0653666
    • I14-0704
    • DTXSID00436188
    • DODECYL 3-[2-BROMO-3-(4-METHOXYPHENYL)-3-OXOPROPANAMIDO]-4-CHLOROBENZOATE
    • 70950-46-8
    • AKOS015900367
    • SCHEMBL10939929
    • Inchi： 1S/C29H37BrClNO5/c1-3-4-5-6-7-8-9-10-11-12-19-37-29(35)22-15-18-24(31)25(20-22)32-28(34)26(30)27(33)21-13-16-23(36-2)17-14-21/h13-18,20,26H,3-12,19H2,1-2H3,(H,32,34)
    • InChI Key： PRWXKCMBJJOJSM-UHFFFAOYSA-N
    • SMILES： BrC(C(C1C=CC(=CC=1)OC)=O)C(NC1=C(C=CC(=C1)C(=O)OCCCCCCCCCCCC)Cl)=O

Computed Properties

  • Exact Mass: 593.15436g/mol
  • Monoisotopic Mass: 593.15436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 18
  • Complexity: 685
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.1
  • Topological Polar Surface Area: 81.7?2

Experimental Properties

  • Density: 1.272±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.0E-6 g/L) (25 oC),

Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester Related Literature

Related Categories

70950-46-8 (Benzoicacid, 3-[[2-bromo-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-4-chloro-, dodecyl ester) Related Products

Recommended suppliers
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent