4-Hydroxybenzoic acid-d4 - ≥99% , CAS No.152404-47-2

CAS: 152404-47-2 Cat. No.: H649595 분자식: C₇H₂D₄O₃ 분자량: 142.15 EC 번호: 621-134-1 PubChem CID: 44540358

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

4-Hydroxybenzoic acid-d 4 is the deuterium labeled 4-Hydroxybenzoic acid. 4-Hydroxybenzoic acid, a phenolic derivative of benzoic acid, could inhibit most gram-positive and some gram-negative bacteria, with an IC50 of 160 μg/mL.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

4-Hydroxybenzoic acid-d 4 is the deuterium labeled 4-Hydroxybenzoic acid. 4-Hydroxybenzoic acid, a phenolic derivative of benzoic acid, could inhibit most gram-positive and some gram-negative bacteria, with an IC50 of 160 μg/mL.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

• 이성체 SMILES: [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])O)[2H]
• PubChem CID: 44540358
• 분자량: 142.15

화학 및 물리적 특성

• 분자량: 142.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.057 Da
• Monoisotopic Mass: 142.057 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 4
• 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