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1-Caffeoylquinic acid Chemical and Physical Properties

Names and Identifiers

- 1-Caffeoylquinic acid
- 3,4-Dihydroxycinnamic acid (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
- 1-O-Caffeoylquinic acid
- 1-Kaffeylchinasaeure
- Cyclohexanecarboxylicacid
- Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
- 797FE6FE-1329-4C90-9B0E-B583676AD409
- AC-6023
- NPLC-0528
- (3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
- 8WO78APH4R
- Quinic acid, 1-caffeoyl-
- Quinic acid, 1-caffeoyl-, E-
- AKOS025402172
- CYCLOHEXANECARBOXYLIC ACID, 1-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
- 928005-87-2
- HY-N0460
- 2848CBC5-0661-43ED-9EB3-3CDD3AB3BCCD
- CHEBI:136555
- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-, 1-(3,4-dihydroxycinnamate)
- ACon1_000282
- trans-1-o-Caffeoylquinic acid
- PD125742
- Cyclohexanecarboxylic acid, 1-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,4,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
- 1241-87-8
- AKOS040760125
- DTXSID001308334
- 1-O-(trans-caffeoyl)quinic acid
- MS-25508
- UNII-8WO78APH4R
- Q27271129
- 1-Cqa
- SCHEMBL18180785
- CYCLOHEXANECARBOXYLIC ACID, 1-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4,5-TRIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-
- Cyclohexanecarboxylic acid, 1-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-3,4,5-trihydroxy-, (1alpha,3R,4alpha,5R)-
- (1S,3R,4S,5R)-1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylic acid
- NCGC00180712-02!(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
- NCGC00180712-01
- CS-0008987
- Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
- SCHEMBL6240053
- 1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
- 1-(3,4-Dihydroxycinnamoyl)quinic acid
- PD125743
- PD130365
- 1-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5-trihydroxycyclohexane-1-carboxylic acid
- FT-0686559
- AKOS032962069
- Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4,5-trihydroxy-, (1a,3R,4a,5R),Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-, 1-(3,4-dihydroxycinnamate),Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
- MDL： MFCD10566609
- Inchi： 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14?,16?/m1/s1
- InChI Key： GWTUHAXUUFROTF-AVXJPILUSA-N
- SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)C1(C(=O)O)C[C@H](C([C@@H](C1)O)O)O

Computed Properties

Exact Mass: 354.09500
Monoisotopic Mass: 354.09508215 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 6
Hydrogen Bond Acceptor Count: 9
Heavy Atom Count: 25
Rotatable Bond Count: 5
Complexity: 520
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
Molecular Weight: 354.31
XLogP3: -0.4
Topological Polar Surface Area: 165?2

Experimental Properties

Color/Form: White powder
Density: 1.65
Melting Point: No data available
Boiling Point: 636.2±55.0 °C at 760 mmHg
Flash Point: 234.5±25.0 °C
Refractive Index: 1.69
PSA: 164.75000
LogP: -0.64590

1-Caffeoylquinic acid Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care
Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Storage Condition：Please store the product under the recommended condition sin the description

1-Caffeoylquinic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
MedChemExpress	HY-N0460-1mg	1-Caffeoylquinic acid	1241-87-8	99.06%	1mg	￥850	2024-04-20
MedChemExpress	HY-N0460-5mg	1-Caffeoylquinic acid	1241-87-8	99.06%	5mg	￥2100	2024-04-20
ChemFaces	CFN99121-10mg	1-Caffeoylquinic acid	1241-87-8	>=98%	10mg	$350	2021-07-22
HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI	BZP0028-20mg	1-Caffeoylquinic acid	1241-87-8	HPLC≥98%	20mg	￥4400元	2023-09-15
SHANG HAI TAO SHU Biotechnology Co., Ltd.	TN1051-50 mg	1-Caffeoylquinic acid	1241-87-8	99.16%	50mg	￥18600.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	TN1051-100 mg	1-Caffeoylquinic acid	1241-87-8	99.16%	100MG	￥27900.00	2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.	TN1051-200 mg	1-Caffeoylquinic acid	1241-87-8	99.16%	200mg	￥41850.00	2022-04-26
Chengdu Biopurify Phytochemicals Ltd	BPF9121-10mg	1-O-Caffeoylquinic acid	1241-87-8	98%	10mg	$150	2023-09-20
Chengdu Biopurify Phytochemicals Ltd	BPF9121-5mg	1-O-Caffeoylquinic acid	1241-87-8	98%	5mg	$96	2023-09-20
Chengdu Biopurify Phytochemicals Ltd	BPF9121-20mg	1-O-Caffeoylquinic acid	1241-87-8	98%	20mg	$250	2023-09-20

1-Caffeoylquinic acid Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:1241-87-8)1-Caffeoylquinic acid

Order Number:A1200184

Stock Status:in Stock

Quantity:10mg

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 02:41

Price ($):163.0

Email:[email protected]

Product Official Link

1-Caffeoylquinic acid Related Literature

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Cas no 1241-87-8 (1-Caffeoylquinic acid)