Veledimex - ≥99% , CAS No.1093130-72-3

CAS: 1093130-72-3 Cat. No.: V302182 분자식: C₂₇H₃₈N₂O₃ 분자량: 438.6 PubChem CID: 57751161

등급 & 순도 ≥99%

Synonyms

Veledimex | DB12170 | LZWZPGLVHLSWQX-XMMPIXPASA-N | ASU841TV0X | (r)-3,5-dimethyl-benzoic acid n-(1-tert-butyl-butyl)-n'-(2-ethyl-3-methoxy-benzoyl)-hydrazide | INXN-1001 | AS-84226 | Q27274109 | UNII-ASU841TV0X | HY-16785 | SCHEMBL2582702 | D10678 | RG-1

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

Veledimex | DB12170 | LZWZPGLVHLSWQX-XMMPIXPASA-N | ASU841TV0X | (r)-3,5-dimethyl-benzoic acid n-(1-tert-butyl-butyl)-n'-(2-ethyl-3-methoxy-benzoyl)-hydrazide | INXN-1001 | AS-84226 | Q27274109 | UNII-ASU841TV0X | HY-16785 | SCHEMBL2582702 | D10678 | RG-1

사양 및 순도

≥99%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥99%

이름과 식별자

정식 스마일

CCCC(C(C)(C)C)N(C(=O)C1=CC(=CC(=C1)C)C)NC(=O)C2=C(C(=CC=C2)OC)CC

IUPAC Name

N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazide

InChIKey

LZWZPGLVHLSWQX-XMMPIXPASA-N

INCHI

1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)/t24-/m1/s1

이성체 SMILES

CCC[C@H](C(C)(C)C)N(C(=O)C1=CC(=CC(=C1)C)C)NC(=O)C2=C(C(=CC=C2)OC)CC

PubChem CID

57751161

분자량

438.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: m-Xylenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid hydrazides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Xylene - M-xylene - Phenoxy compound - Alkyl aryl ether - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene 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.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 438.600 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 438.288 Da
• Monoisotopic Mass: 438.288 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 605.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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