Boc-Phe(2,4-Cl (CAS 114873-04-0)

(S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

CAS 114873-04-0  ·  C14H17Cl2NO4  ·  MW 334.2 g/mol

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3D model (S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid, CAS 114873-04-0, molecular formula C14H17Cl2NO4, molar mass 334.2 g/mol
About Boc-Phe(2,4-Cl (CAS 114873-04-0)

Boc-Phe(2,4-Cl (CAS 114873-04-0) is a chemical compound registered under number CAS 114873-04-0, with the molecular formula C14H17Cl2NO4, and a molar mass of 334.2 g/mol.

The molecule contains 38 atoms connected by 38 chemical bonds. The full systematic IUPAC name of this compound is (2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 3.8 (positive value, a lipophilic compound), polar surface area PSA = 75.6 Ų, 2 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC14H17Cl2NO4
Masa molowa334.2 g/mol
IUPAC(2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC1=C(C=C(C=C1)Cl)Cl)C(=O)O
InChIKeyKSDWBXFRQWMWHO-NSHDSACASA-N
logP (XLogP3)3.8
PSA75.6 Ų
HBD / HBA2 / 4
PubChem CIDCID 2734683 ↗
Scientific literature

Related literature

14 artykułów · 3 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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📈 Timeline publikacji (14 artykułów)

2020: 3 artykułów20202021: 1 artykułów2022: 3 artykułów2023: 3 artykułów20232024: 2 artykułów2026: 2 artykułów2026

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
114873-04-0 · (S)-2-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid · Boc-L-2,4-Dichlorophenylalanine · Boc-2,4-dichloro-L-phenylalanine · Boc-Phe(2,4-Cl2)-OH · MFCD01862942 · L-Phenylalanine, 2,4-dichloro-N-[(1,1-dimethylethoxy)carbonyl]- · (2S)-3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid · (S)-Boc-2,4-Dichlorophenylalanine · Boc-L-2,4-Dichlorophe · (2S)-2-(tert-butoxycarbonylamino)-3-(2,4-dichlorophenyl)propanoic acid · Boc-Phe(2,4-DiCl)-OH · Boc-Phe(2,4-Cl?)-OH · SCHEMBL1614505 · SCHEMBL29726536
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