for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
1588-A4 (ARS-1620 Intermediate) is the ARS-1620 intermediate. ARS-1620 is an atropisomeric selective KRASG12C inhibitor with desirable pharmacokinetics.
| Kanonisches Lächeln | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)Br)F |
|---|---|
| IUPAC Name | tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate |
| InChIKey | WKUMTSOYOFGRSM-UHFFFAOYSA-N |
| INCHI | 1S/C17H19BrClFN4O2/c1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15/h8-9H,4-7H2,1-3H3 |
| Isomere SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)Br)F |
| Molekulargewicht | 445.70 |
| Reaxy-Rn | 28150193 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28150193&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Klasse | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Quinazolinamines Piperazine carboxylic acids Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Benzenoids Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Vinyl fluorides Vinyl chlorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Chloroalkenes Carboximidamides Bromoalkenes Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Quinazolinamine - Diazanaphthalene - Quinazoline - Piperazine-1-carboxylic acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Carbonic acid derivative - Azacycle - Fluoroalkene - Chloroalkene - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Vinyl chloride - Vinyl bromide - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molekulargewicht | 445.700 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 444.036 Da |
| Monoisotopic Mass | 444.036 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| 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 |
