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Chemistry & Biochemicals
Building Blocks
Heterocyclic Building Blocks
18-chloro-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.0¹⁴¹⁹]icosa-1(12),13,15,17,19-pentaene - 97%, high purity , CAS No.1204313-58-5
18-chloro-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.0¹⁴¹⁹]icosa-1(12),13,15,17,19-pentaene - 97%, high purity , CAS No.1204313-58-5
Basic Description
Synonyms
BUXRNECOVLCHCM-UHFFFAOYSA-N | 4-chloro-7h,8h,10h,11h,13h,14h-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazoline | SCHEMBL362314 | 4-Chloro-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazoline
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Halopyrimidines Alkyl aryl ethers Hydropyrimidines Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Halopyrimidine - Alkyl aryl ether - Benzenoid - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors
Not available
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.
Names and Identifiers
IUPAC Name
18-chloro-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaene
INCHI
InChI=1S/C14H15ClN2O4/c15-14-10-7-12-13(8-11(10)16-9-17-14)21-6-4-19-2-1-18-3-5-20-12/h7-9H,1-6H2
InChIKey
BUXRNECOVLCHCM-UHFFFAOYSA-N
Smiles
C1COCCOC2=C(C=C3C(=C2)N=CN=C3Cl)OCCO1
Isomeric SMILES
C1COCCOC2=C(C=C3C(=C2)N=CN=C3Cl)OCCO1
Alternate CAS
1204313-58-5
PubChem CID
44608203
Molecular Weight
310.73
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
310.730 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
310.072 Da
Monoisotopic Mass
310.072 Da
Topological Polar Surface Area
62.700 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
323.000
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
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C2513236