Beta-Alanylhistidine
TL;DR: Beta-Alanylhistidine (CAS 9001-99-4) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: L-Carnosine, Carnosine, Ribonuclease A, PAPAIN, RIBONUCLEASE
| Molecular Formula | C9H14N4O3 |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.1066 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 9001-99-4 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN |
| InChIKey | CQOVPNPJLQNMDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Beta-Alanylhistidine (CAS 9001-99-4), with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol. IUPAC: 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of Beta-Alanylhistidine
Property Insights of Beta-Alanylhistidine
The XLogP value of -4.0 indicates that Beta-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 Beta-Alanylhistidine. Following Lipinski's Rule of Five, Beta-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
Frequently Asked Questions
What is the CAS number of Beta-Alanylhistidine?
The CAS number of Beta-Alanylhistidine is 9001-99-4.
What is the molecular formula of Beta-Alanylhistidine?
The molecular formula of Beta-Alanylhistidine is C9H14N4O3.
What is the molecular weight of Beta-Alanylhistidine?
The molecular weight of Beta-Alanylhistidine is 226.11 g/mol.
Where can I buy Beta-Alanylhistidine?
You can request a quote for Beta-Alanylhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beta-Alanylhistidine?
Yes, KEHONG BIO provides custom synthesis services for Beta-Alanylhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.