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4-Carboxyphenylalanine structure
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4-Carboxyphenylalanine

TL;DR: 4-Carboxyphenylalanine (CAS 126109-42-0) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-(2-amino-2-carboxyethyl)benzoic acid

Also Known As: 4-(2-Amino-2-carboxyethyl)benzoic acid, 4-carboxyphenylalanine, 4-Carboxy-L-phenylalanine, H-p-Carboxy-Phe-OH, 4-carboxy-DL-phenylalanine

CAS Number
126109-42-0
Molecular Formula
C10H11NO4
Molecular Weight
209.0688 g/mol
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Application Areas

Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (9 patents) Analytical Reagents (2 patents) Biotechnology (5 patents) Heterocyclic Building Blocks (59 patents) Organic Building Blocks (92 patents)

Technical Specifications

Molecular FormulaC10H11NO4
Molecular Weight209.0688 g/mol
XLogP-1.6
Topological Polar Surface Area (TPSA)101.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors5
Rotatable Bonds4
Exact Mass209.0688 Da
Heavy Atoms15
Complexity246.0
SMILESC1=CC(=CC=C1CC(C(=O)O)N)C(=O)O
InChIKeyYXDGRBPZVQPESQ-UHFFFAOYSA-N

Chemical Property Profile of 4-Carboxyphenylalanine

XLogP
-1.6
TPSA (Topological Polar Surface Area)
101.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
15
Complexity
246.0
Exact Mass
209.0688
Monoisotopic Mass
209.0688
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4-Carboxyphenylalanine

The XLogP value of -1.6 indicates that 4-Carboxyphenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxyphenylalanine. Following Lipinski's Rule of Five, 4-Carboxyphenylalanine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-Carboxyphenylalanine?

The CAS number of 4-Carboxyphenylalanine is 126109-42-0.

What is the molecular formula of 4-Carboxyphenylalanine?

The molecular formula of 4-Carboxyphenylalanine is C10H11NO4.

What is the molecular weight of 4-Carboxyphenylalanine?

The molecular weight of 4-Carboxyphenylalanine is 209.0688 g/mol.

Where can I buy 4-Carboxyphenylalanine?

You can request a quote for 4-Carboxyphenylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-Carboxyphenylalanine?

Yes, CoreyChem provides custom synthesis services for 4-Carboxyphenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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