Cas no 170864-29-6 (Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-)

Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]- structure
170864-29-6 structure
Product Name:Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
CAS No:170864-29-6
MF:C22H17F2N5OS
MW:437.465089559555
CID:98546
PubChem ID:9845922
Update Time:2025-04-18

Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
    • Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-...
    • benzyl 2-hydroxy-5-iodobenzoate
    • Ravuconazole
    • (1R,2R)-4-[2-[2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl]-thiazol-4-yl]-benzonitrile
    • (2R,3R)-3-[(2S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
    • (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-buta n-2-ol
    • 3-[4-(4-Cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    • N-(tert-Butoxycarbonyl)
    • N-Boc-dolaproline
    • SCHEMBL939025
    • REVUCONAZOLE
    • BCP16559
    • 4-[2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
    • 1329499-27-5
    • 4-[2-[2-(2,4-Difluorophenyl)-2-Hydroxy-1-Methyl-3-(1H-1,2,4-Triazol-1-ylPropyl]-4-Thiazolyl]-Benzonitrile
    • DTXSID50870154
    • 170864-29-6
    • AKOS015910001
    • 4-{2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
    • racemic 3-[4-(4-cyanophenyl)thiazol-2-yl]-1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-butan-2-ol
    • FT-0696134
    • Ravuconazole-d4
    • OPAHEYNNJWPQPX-UHFFFAOYSA-N
    • FT-0674333
    • Benzonitrile, 4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-
    • Inchi： 1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3
    • InChI Key： OPAHEYNNJWPQPX-UHFFFAOYSA-N
    • SMILES： S1C=C(C2C=CC(C#N)=CC=2)N=C1C(C)C(C1C=CC(=CC=1F)F)(CN1C=NC=N1)O

Computed Properties

  • Exact Mass: 437.11200
  • Monoisotopic Mass: 437.112
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 657
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 116A^2
  • XLogP3: 3.5

Experimental Properties

  • Melting Point: 148-151°C
  • PSA: 115.86000
  • LogP: 4.24298

Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]- Related Literature

170864-29-6 (Benzonitrile,4-[2-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]-) Related Products

Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd