Pentadecanoic Acid - 10mM in DMSO , CAS No.1002-84-2

CAS: 1002-84-2 Cat. No.: P420258 Formula: C₁₅H₃₀O₂ Molecular Weight: 242.4 Beilstein Registry Number: 1773831 EC Number: 213-693-1

GRADE & PURITY 10mM in DMSO

Synonyms

Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 | H10804 | NCGC00258749-01 | UNII-CCW02D961F | BP-27916 | CHEBI:42504 | Pentadecylic acid | tetradecylcarboxylic acid | CCW02D961F | EINEC

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 | H10804 | NCGC00258749-01 | UNII-CCW02D961F | BP-27916 | CHEBI:42504 | Pentadecylic acid | tetradecylcarboxylic acid | CCW02D961F | EINEC

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528770249

Canonical Smiles

CCCCCCCCCCCCCCC(=O)O

IUPAC Name

pentadecanoic acid

InChIKey

WQEPLUUGTLDZJY-UHFFFAOYSA-N

INCHI

1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)O

WGK Germany

3

RTECS

RZ1925000

Molecular Weight

242.4

Beilstein

1773831

Reaxy-Rn

1773831

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Straight chain fatty acids

Data sources

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

Associated Targets(Human)

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): >113°C
• Boil Point(°C): 339 °C
• Melt Point(°C): 51-53°C
• Molecular Weight: 242.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.225 Da
• Monoisotopic Mass: 242.225 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1