methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate
TL;DR: methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate (CAS 501950-45-4) 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 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate
Also Known As: methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate, methyl 4-[(methylcarbamoyl)amino]-1h-imidazole-5-carboxylate, 1H-Imidazole-4-carboxylic acid, 5-[[(methylamino)carbonyl]amino]-, methyl, 5-[[(METHYLAMINO)CARBONYL]AMINO]-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER
| Molecular Formula | C7H10N4O3 |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.07529 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 501950-45-4 |
|---|---|
| SMILES | CNC(=O)NC1=C(NC=N1)C(=O)OC |
| InChIKey | ZTJZTVPSXBCELG-UHFFFAOYSA-N |
Product Overview
methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate (CAS 501950-45-4), with molecular formula C7H10N4O3 and molecular weight 198.08 g/mol. IUPAC: methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate.
Chemical Property Profile of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate
Property Insights of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate has 3 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 methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate?
The CAS number of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate is 501950-45-4.
What is the molecular formula of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate?
The molecular formula of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate is C7H10N4O3.
What is the molecular weight of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate?
The molecular weight of methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate is 198.08 g/mol.
Where can I buy methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate?
You can request a quote for methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(methylcarbamoylamino)-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.