Bexlosteride , CAS No.148905-79-7

CAS: 148905-79-7 Cat. No.: B668109 분자식: C14H16ClNO 분자량: 249.73 PubChem CID: 166562
주문 가능
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
독일 (EU)*
Price
Qty
1mg
B668109-1mg
주문제작 · 8~12주

US$571.90

US$857.90
저장 US$286.00 (33.34%)
5mg
B668109-5mg
주문제작 · 8~12주

US$1,999.90

US$2,999.90
저장 US$1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
🧪
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

동의어
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
보관 조건
Room temperature
작업 유형
INHIBITOR
제품 특성
ALogP
2.6
이름과 식별자
정식 스마일
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
이성체 SMILES
CN1[C@@H]2CCC3=C([C@H]2CCC1=O)C=CC(=C3)Cl
PubChem CID
166562
분자량
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
분류Quinolines 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
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
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량249.730 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
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