Name: Albaconazole , Lanosterol 14-alpha demethylase inhibitor, CAS No.187949-02-6, Lanosterol 14-alpha demethylase inhibitor
SKU: A355384
Availability: InStock

Albaconazole , Lanosterol 14-alpha demethylase inhibitor, CAS No.187949-02-6, Lanosterol 14-alpha demethylase inhibitor

CAS: 187949-02-6 Cat. No.: A355384 분자식: C₂₀H₁₆ClF₂N₅O₂ 분자량: 431.82 EC 번호: 642-950-4

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Albaconazole - CAS No(187949-02-6) by Aladdin Scientific

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주문 가능

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

개요

Albaconazole is a triazole antifungal agent used as a neuroprotectant. The compound has shown very potent activity against species of Candida, Cryptococcus and Aspergillus.

Specifications

동의어

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Lanosterol 14-alpha demethylase inhibitor

제품 특성

ALogP	2.5

이름과 식별자

정식 스마일	CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
IUPAC Name	7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
InChIKey	UHIXWHUVLCAJQL-MPBGBICISA-N
INCHI	1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
이성체 SMILES	C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
분자량	431.82
Reaxy-Rn	11220058
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11220058&ln=

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Phenylpropanes Pyrimidones Fluorobenzenes Aryl chlorides Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Phenylpropane - Fluorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl fluoride - Aryl halide - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Azole - Lactam - Azacycle - Organopnictogen compound - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
설명	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
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. DOI: 10.1186/s13321-016-0174-y

3D 구조

관련 대상(비인간)

Nannizzia gypsea (2039 Activities)

용해성	Chloroform
녹는점(°C)	121-122° C
분자량	431.800 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	431.096 Da
Monoisotopic Mass	431.096 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	673.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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