肌酸酐
TL;DR: 肌酸酐 (CAS 60-27-5) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
肌酸酐
2-amino-3-methyl-4H-imidazol-5-one
Also Known As: creatinine, 1-Methylglycocyamidine, Kreatinin, Creatinine,heated, Kreatininum
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
| Melting Point | 303 °C (decomposes) |
| Solubility | 80.1 mg/mL at 16 °C |
| Vapor Pressure | 0.000217 [mmHg] |
Chemical Identifiers
| CAS Number | 60-27-5 |
|---|---|
| SMILES | CN1CC(=O)N=C1N |
| InChIKey | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
肌酸酐 (CAS 60-27-5), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 2-amino-3-methyl-4H-imidazol-5-one.
Chemical Property Profile of 肌酸酐
Property Insights of 肌酸酐
The XLogP value of -1.8 indicates that 肌酸酐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.7 Ų, 肌酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 肌酸酐 has 1 hydrogen bond donor(s) and 1 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 肌酸酐?
The CAS number of 肌酸酐 is 60-27-5.
What is the molecular formula of 肌酸酐?
The molecular formula of 肌酸酐 is C4H7N3O.
What is the molecular weight of 肌酸酐?
The molecular weight of 肌酸酐 is 113.06 g/mol.
Where can I buy 肌酸酐?
You can request a quote for 肌酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肌酸酐?
Yes, KEHONG BIO provides custom synthesis services for 肌酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.