methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate
TL;DR: methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate (CAS 385796-03-2) is a chemical compound with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-4-(methylcarbamoyl)imidazole-1-carboxylate
Also Known As: AF-407/32638001, Methyl 5-amino-4-(methylcarbamoyl)imidazole-1-carboxylate, methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate, 1H-Imidazole-1-carboxylicacid,5-amino-4-[ carbonyl]-,methyl, methyl 5-amino-4-[(methylamino)carbonyl]-1H-imidazole-1-carboxylate
| Molecular Formula | C7H10N4O3 |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | -0.5606 |
| Topological Polar Surface Area | 99.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.07529 |
| Heavy Atoms | 14 |
| Complexity | 337.51184 |
Chemical Identifiers
| CAS Number | 385796-03-2 |
|---|---|
| SMILES | CNC(=O)C1=C(N(C=N1)C(=O)OC)N |
Product Overview
methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate (CAS 385796-03-2), with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol. IUPAC: methyl 5-amino-4-(methylcarbamoyl)imidazole-1-carboxylate.
Chemical Property Profile of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate
Property Insights of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate
The XLogP value of -0.5606 indicates that methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.24 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate has 2 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 methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate?
The CAS number of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate is 385796-03-2.
What is the molecular formula of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate?
The molecular formula of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate is C7H10N4O3.
What is the molecular weight of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate?
The molecular weight of methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate is 198.08 g/mol.
Where can I buy methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate?
You can request a quote for methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-4-(methylcarbamoyl)-1H-imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.