Cas no 2450-53-5 (Isochlorogenic acid A)

Isochlorogenic acid A structure
Isochlorogenic acid A structure
Product Name:Isochlorogenic acid A
CAS No:2450-53-5
MF:C25H24O12
MW:516.450868606567
MDL:MFCD00951290
CID:42993
PubChem ID:329824809
Update Time:2025-04-18

Isochlorogenic acid A Chemical and Physical Properties

Names and Identifiers

    • Isochlorogenic acid A
    • 3,5-Dicaffeoylquinic acid
    • 3,5-CQA
    • 3,5-Di-caffeoylquinic acid
    • 3,5-Dicaffeylquinic acid
    • 3,5-di-O-caffeoylquinic acid
    • 3,5-di-O-trans-caffeoyl-D-quinic acid
    • CJ 4-16-4
    • Quinic acid 3,5-di-O-caffeate
    • 3,5-DCQA
    • Isochlorogenic-acid-A
    • 3,5-Dicaffeoyl-epi-quinic acid
    • 3,5-di-O-caffeoyl quinic acid
    • (-)-3,5-Dicaffeoyl quinic acid
    • (1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
    • 3,5-Di-o-caffeoylquinic acid/Isochlorogenic acid A
    • (1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-
    • (1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylicacid
    • Methylhydrogenphthalate
    • PD197614
    • (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
    • 3,5-DI-O-(E)-CAFFEOYLQUINIC ACID
    • 3,5-dicaffeoylquinate
    • 3,5-di-O-Aaffeoylquinic acid
    • 3,5-O-dicaffeoylquinic acid
    • CS-3768
    • BDBM50466107
    • CYCLOHEXANECARBOXYLIC ACID, 1,4-DIHYDROXY-3,5-BIS(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-
    • CHEMBL249447
    • (3R,5R)-3,5-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexanecarboxylic acid
    • AKOS032948323
    • CCG-269821
    • DTXSID00424282
    • CHEMBL4466054
    • CHEMBL4289566
    • (1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid
    • s9282
    • 2450-53-5
    • A,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid
    • CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
    • Q27134233
    • HY-N9895
    • NCGC00169984-01
    • BS-42212
    • (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid
    • 89919-62-0
    • (1R,3R,4S,5R)-3,5-Bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
    • HY-N0056
    • (1.ALPHA.,3R,4.ALPHA.,5R)-3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID
    • (1
    • (1S,3R,4S,5R)-3,5-BIS(((E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL)OXY)-1,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
    • (E,E)-3,5-O-dicaffeoylquinic acid
    • ACon1_002290
    • 879305-14-3
    • CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4-DIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(E),4.ALPHA.,5.BETA.(E)))-
    • Dicaffeoylquinic acid
    • 3,5-H56:H75dicaffeoyl-epi-quinic acid
    • NCGC00390251-01
    • NCGC00169984-03
    • SCHEMBL20339739
    • Q-100315
    • CHEBI:65751
    • (3R,5R)-3,5-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl))-1,4-dihydroxy-cyclohexanecarboxylic acid
    • 1ST40155
    • 3,5-Dicaffeoylquininic acid
    • BDBM50362839
    • UNII-ND94C5E75K
    • 3,5-DICQA
    • A877898
    • (E,E)-3,5-Di-O-caffeoylquinic acid
    • AKOS016007890
    • 3,5-Di-caffeoylquinic acid, >=95% (LC/MS-ELSD)
    • GTPL12548
    • A,3R,4
    • CJ-4-16-4
    • 3,5-dicaffeoyl quinic acid
    • CS-0204164
    • ND94C5E75K
    • AKOS015903388
    • MFCD00951290
    • SCHEMBL13567304
    • Rel-3,5-Dicaffeoylquinic Acid
    • (1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoate
    • DA-74544
    • DA-49507
    • 3,5-Dicaffeoylquinicacid
    • DA-60222
    • MDL： MFCD00951290
    • Inchi： 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
    • InChI Key： KRZBCHWVBQOTNZ-RDJMKVHDSA-N
    • SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)[C@H]1C([C@@H](CC(C(=O)O)(C1)O)OC(/C=C/C1C=CC(=C(C=1)O)O)=O)O

Computed Properties

  • Exact Mass: 516.12700
  • Monoisotopic Mass: 516.12677620 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 9
  • Complexity: 825
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 211
  • Molecular Weight: 516.4
  • XLogP3: 1.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0200
  • Melting Point: 170-172°C
  • Boiling Point: 826.2℃ at 760 mmHg
  • Flash Point: 280.4±27.8 °C
  • Refractive Index: 1.719
  • PSA: 211.28000
  • LogP: 1.02960
  • Sensitiveness: Sensitive to light
  • Vapor Pressure: 0.0±3.2 mmHg at 25°C

Isochlorogenic acid A Security Information

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Isochlorogenic acid A Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:2450-53-5)3，5-Di-o-caffeoylquinic acid
Order Number:LE10526
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:03
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:2450-53-5)Isochlorogenic acid A
Order Number:A877898
Stock Status:in Stock
Quantity:1g/250mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:55
Price ($):665.0/260.0
Hubei Cuiyuan Biotechnology Co.,Ltd
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(CAS:2450-53-5)IsochlorogenicacidA
Order Number:CRN0032
Stock Status:in stock
Quantity:5mg/20mg/50mg
Purity:≥98%
Pricing Information Last Updated:Friday, 14 March 2025 10:55
Price ($):

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2450-53-5)3，5-Di-o-caffeoylquinic acid
LE10526
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:2450-53-5)Isochlorogenic acid A
A877898
Purity:99%/99%
Quantity:1g/250mg
Price ($):665.0/260.0
Email