Products for Research Use Only

Lufenuron-13C7

CAT: 1459-CS-T-103470Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-103470Size:1 Each
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Description
Lufenuron-13C7 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Lufenuron. The product is supplied by Clearsynth under CAT No. CS-T-103470. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Lufenuron-13C7 is the labeled analogue of Lufenuron (L473750), a benzoylurea pesticide which inhibits the production of chitin in larval fleas.
CAS Number
2727370-48-9
Synonyms
Lufenuron-13C7
Molecular Formula
C 1013 C 7 H 8 Cl 2 F 8 N 2 O 3
Molecular Weight
518.1
Additionnal Information
Lufenuron-13C7 is supplied with detailed characterization data compliant with regulatory guideline. Lufenuron-13C7 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Lufenuron.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Lufenuron-13C7 is the labeled analogue of Lufenuron (L473750), a benzoylurea pesticide which inhibits the production of chitin in larval fleas.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Lufenuron-13C7
CAS Number2727370-48-9
PubChem CID171394820
IUPAC NameN-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxamide
Molecular FormulaC17H8Cl2F8N2O3
Molecular Weight518.10
XLogP6.4
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity677
SMILES
C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)NC(=O)N[13C](=O)[13C]2=[13C]([13CH]=[13CH][13CH]=[13C]2F)F
InChI
InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)/i1+1,2+1,3+1,8+1,9+1,12+1,13+1
InChIKey
PWPJGUXAGUPAHP-IBKNJZELSA-N
Chemical Structure
2D Structure
2D structure of Lufenuron-13C7
CAS: 2727370-48-9
CID: 171394820
Formula: C17H8Cl2F8N2O3
MW: 518.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight518.10
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass517.0019067
Monoisotopic Mass517.0019067
Topological Polar Surface Area67.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity677
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes