Bexlosteride , CAS No.148905-79-7

CAS: 148905-79-7 Cat. No.: B668109 分子式: C14H16ClNO 分子量: 249.73 PubChem CID: 166562
注文可能
Synonyms
Bexlosteride | LY-191704 | LY300502 | LY-300502 | (4aR,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one | 36X732P4P0 | (4aR,10bR)-8-Chloro-1,4,4a,5,6,10b-hexahydro-4-methylbenzo(f)quinolin-3(2H)-one | Bexlosteride [USAN:INN] | bexlos
Storage
Room temperature
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
B668109-1mg
受注生産 · 8~12週間

$571.90

$857.90
保存 $286.00 (33.34%)
5mg
B668109-5mg
受注生産 · 8~12週間

$1,999.90

$2,999.90
保存 $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語
Bexlosteride | LY-191704 | LY300502 | LY-300502 | (4aR,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one | 36X732P4P0 | (4aR,10bR)-8-Chloro-1,4,4a,5,6,10b-hexahydro-4-methylbenzo(f)quinolin-3(2H)-one | Bexlosteride [USAN:INN] | bexlos
保管条件
Room temperature
アクションタイプ
INHIBITOR
製品の性質
ALogP
2.6
名前と識別子
カノニカル・スマイル
CN1C2CCC3=C(C2CCC1=O)C=CC(=C3)Cl
IUPAC Name
(4aR,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
InChIKey
WQBIOEFDDDEARX-CHWSQXEVSA-N
INCHI
1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1
異性体SMILES
CN1[C@@H]2CCC3=C([C@H]2CCC1=O)C=CC(=C3)Cl
PubChem CID
166562
分子量
249.73

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Quinolines and derivatives
SubclassBenzoquinolines
Intermediate Tree Nodes Not available
Direct ParentBenzoquinolines
Alternative Parents Tetralins  Piperidinones  Delta lactams  Aryl chlorides  Tertiary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoquinoline - Tetralin - Delta-lactam - Piperidinone - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as benzoquinolines. These are organic compounds containing a benzene fused to a quinoline ring system.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
SRD5A1 Tclin 3-oxo-5-alpha-steroid 4-dehydrogenase 1 (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SRD5A2 Tclin 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SRD5A1 Tclin Steroid 5-alpha-reductase 1 (755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量249.730 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass249.092 Da
Monoisotopic Mass249.092 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity319.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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