5-脲基咪唑-4-甲酸
TL;DR: 5-脲基咪唑-4-甲酸 (CAS 4919-06-6) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-脲基咪唑-4-甲酸
4-(carbamoylamino)-1H-imidazole-5-carboxylic acid
Also Known As: 5-ureidoimidazole-4-carboxylic acid, 4-Ureido-5-imidazolecarboxylic acid, 5-Ureido-4-imidazole carboxylate, 5-(carbamoylamino)-1H-imidazole-4-carboxylic acid, 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 4919-06-6 |
|---|---|
| SMILES | C1=NC(=C(N1)C(=O)O)NC(=O)N |
| InChIKey | PQSKWIHIUOGLHX-UHFFFAOYSA-N |
Product Overview
5-脲基咪唑-4-甲酸 (CAS 4919-06-6), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 4-(carbamoylamino)-1H-imidazole-5-carboxylic acid.
Chemical Property Profile of 5-脲基咪唑-4-甲酸
Property Insights of 5-脲基咪唑-4-甲酸
The XLogP value of -0.6 indicates that 5-脲基咪唑-4-甲酸 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 5-脲基咪唑-4-甲酸. Following Lipinski's Rule of Five, 5-脲基咪唑-4-甲酸 has 4 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 5-脲基咪唑-4-甲酸?
The CAS number of 5-脲基咪唑-4-甲酸 is 4919-06-6.
What is the molecular formula of 5-脲基咪唑-4-甲酸?
The molecular formula of 5-脲基咪唑-4-甲酸 is C5H6N4O3.
What is the molecular weight of 5-脲基咪唑-4-甲酸?
The molecular weight of 5-脲基咪唑-4-甲酸 is 170.04 g/mol.
Where can I buy 5-脲基咪唑-4-甲酸?
You can request a quote for 5-脲基咪唑-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-脲基咪唑-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-脲基咪唑-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.