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p-Coumaryl-Coenzyme A - ≥95%, high purity , CAS No.119785-99-8

COA

Grade & Purity:

≥95%

Cas Number: 119785-99-8
Molecular Weight: 913.68
PubChem CID: 6440013

In stock

Item Number

P769868

Grouped product items
SKU	Size	Availability	Price	Qty
P769868-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,213.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acyl thioesters
      - Level5 Enoyl CoAs
        Level6 2-enoyl CoAs

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acyl thioesters
Intermediate Tree Nodes	Enoyl CoAs
Direct Parent	2-enoyl CoAs
Alternative Parents	Acyl CoAs Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Coumaric acids and derivatives Glycosylamines Beta amino acids and derivatives 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Styrenes Monoalkyl phosphates Aminopyrimidines and derivatives 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Secondary carboxylic acid amides Thioesters Secondary alcohols Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Carbonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coenzyme a or derivatives - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Styrene - Monoalkyl phosphate - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Azacycle - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Primary amine - Amine - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-enoyl coas. These are organic compounds containing a coenzyme A substructure linked to a 2-enoyl chain.
External Descriptors	4-coumaroyl-CoA
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

INCHI	InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,3
InChIKey	DMZOKBALNZWDKI-MATMFAIHSA-N
Smiles	CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O
Isomeric SMILES	CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=C(C=C4)O)O
Molecular Weight	913.68

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	913.700 g/mol
XLogP3	-3.900
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	22
Exact Mass	913.152 Da
Monoisotopic Mass	913.152 Da
Topological Polar Surface Area	409.000 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1620.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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