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Alanylhistidine structure
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Alanylhistidine

TL;DR: Alanylhistidine (CAS 3253-17-6) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

Also Known As: Alanylhistidine, Ala-His, alanyl-histidine, H-Ala-His-OH, d-alanyl-l-histidine

CAS Number
3253-17-6
Molecular Formula
C9H14N4O3
Molecular Weight
226.1066 g/mol
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Application Areas

Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Analytical Reagents (2 patents) Biotechnology (2 patents) Food Additives (6 patents) Heterocyclic Building Blocks (7 patents)

Technical Specifications

Molecular FormulaC9H14N4O3
Molecular Weight226.1066 g/mol
XLogP-3.5
Topological Polar Surface Area (TPSA)121.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors5
Rotatable Bonds5
Exact Mass226.1066 Da
Heavy Atoms16
Complexity271.0
SMILESCC(C(=O)NC(CC1=CN=CN1)C(=O)O)N
InChIKeyXZWXFWBHYRFLEF-UHFFFAOYSA-N

Chemical Property Profile of Alanylhistidine

XLogP
-3.5
TPSA (Topological Polar Surface Area)
121.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
16
Complexity
271.0
Exact Mass
226.1066
Monoisotopic Mass
226.1066
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 Alanylhistidine

The XLogP value of -3.5 indicates that Alanylhistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanylhistidine. Following Lipinski's Rule of Five, Alanylhistidine has 4 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 Alanylhistidine?

The CAS number of Alanylhistidine is 3253-17-6.

What is the molecular formula of Alanylhistidine?

The molecular formula of Alanylhistidine is C9H14N4O3.

What is the molecular weight of Alanylhistidine?

The molecular weight of Alanylhistidine is 226.1066 g/mol.

Where can I buy Alanylhistidine?

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

Does CoreyChem offer custom synthesis for Alanylhistidine?

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

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