α-氧代-1H-咪唑-5-丙酸
TL;DR: α-氧代-1H-咪唑-5-丙酸 (CAS 2504-83-8) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-氧代-1H-咪唑-5-丙酸
3-(1H-imidazol-5-yl)-2-oxopropanoic acid
Also Known As: Imidazole pyruvate, Imidazole pyruvic acid, imidazol-5-yl-pyruvate, Imidazole-4-pyruvic acid, alpha-Keto-histidine
| Molecular Formula | C6H6N2O3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.03784 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 2504-83-8 |
|---|---|
| SMILES | C1=C(NC=N1)CC(=O)C(=O)O |
| InChIKey | JEJNWEREQWMOHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氧代-1H-咪唑-5-丙酸 (CAS 2504-83-8), with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol. IUPAC: 3-(1H-imidazol-5-yl)-2-oxopropanoic acid.
Chemical Property Profile of α-氧代-1H-咪唑-5-丙酸
Property Insights of α-氧代-1H-咪唑-5-丙酸
The XLogP value of -0.6 indicates that α-氧代-1H-咪唑-5-丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for α-氧代-1H-咪唑-5-丙酸. Following Lipinski's Rule of Five, α-氧代-1H-咪唑-5-丙酸 has 2 hydrogen bond donor(s) and 4 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 α-氧代-1H-咪唑-5-丙酸?
The CAS number of α-氧代-1H-咪唑-5-丙酸 is 2504-83-8.
What is the molecular formula of α-氧代-1H-咪唑-5-丙酸?
The molecular formula of α-氧代-1H-咪唑-5-丙酸 is C6H6N2O3.
What is the molecular weight of α-氧代-1H-咪唑-5-丙酸?
The molecular weight of α-氧代-1H-咪唑-5-丙酸 is 154.04 g/mol.
Where can I buy α-氧代-1H-咪唑-5-丙酸?
You can request a quote for α-氧代-1H-咪唑-5-丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氧代-1H-咪唑-5-丙酸?
Yes, KEHONG BIO provides custom synthesis services for α-氧代-1H-咪唑-5-丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.