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2-(4-Chlorophenoxy) propionic acid - 95%, high purity , CAS No.3307-39-9, Channel blocker of ClC-1

In stock
Item Number
C183745
Grouped product items
SKU Size
Availability
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C183745-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$14.90
C183745-5g
5g
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Production requires sourcing of materials. We appreciate your patience and understanding.
$31.90
C183745-25g
25g
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$109.90
C183745-100g
100g
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$349.90

Basic Description

Synonyms AKOS000103748 | CHEBI:34603 | Z56922097 | BBL002029 | MFCD00002647 | EN300-08066 | 2-(4-CHLOROPHENOXY)PROPANOIC ACID | SY082542 | .alpha.-(4-Chlorophenoxy)propionic acid | 2-(4-Chlorophenoxy) propionic acid 100 microg/mL in Acetonitrile | AS-14004 | S-(-)
Specifications & Purity Moligand™, ≥98%
Storage Temp Room temperature
Shipped In Normal
Grade Moligand™
Action Type CHANNEL BLOCKER
Mechanism of action Channel blocker of ClC-1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass 2-phenoxypropionic acids
Intermediate Tree Nodes Not available
Direct Parent 2-phenoxypropionic acids
Alternative Parents Phenoxyacetic acid derivatives  Phenoxy compounds  Phenol ethers  Chlorobenzenes  Alkyl aryl ethers  Aryl chlorides  Monocarboxylic acids and derivatives  Carboxylic acids  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic homomonocyclic compounds
Substituents 2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors monocarboxylic acid

Associated Targets(Human)

CLCN1 Tbio Chloride channel protein 1 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-(4-chlorophenoxy)propanoic acid
INCHI InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKey DKHJWWRYTONYHB-UHFFFAOYSA-N
Smiles CC(C(=O)O)OC1=CC=C(C=C1)Cl
Isomeric SMILES CC(C(=O)O)OC1=CC=C(C=C1)Cl
Alternate CAS 3307-39-9
NSC Number 70174
MeSH Entry Terms 2-(4-chlorophenoxy)propanoic acid;2-(4-chlorophenoxy)propionic acid;2-(4-chlorophenoxy)propionic acid, (+-)-isomer;2-(4-chlorophenoxy)propionic acid, (R)-isomer;2-(4-chlorophenoxy)propionic acid, (S)-isomer;2-(4-chlorophenoxy)propionic acid, potassium sal
Molecular Weight 200.62
Reaxy-Rn 1911888
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911888&ln=

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

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

Chemical and Physical Properties

Melt Point(°C) 114.0 to 118.0 °C
Molecular Weight 200.620 g/mol
XLogP3 2.300
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 200.024 Da
Monoisotopic Mass 200.024 Da
Topological Polar Surface Area 46.500 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 176.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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