methyl 5-amino-1H-imidazole-4-carboxylate
TL;DR: methyl 5-amino-1H-imidazole-4-carboxylate (CAS 498-17-9) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-1H-imidazole-5-carboxylate
Also Known As: Methyl 5-amino-1H-imidazole-4-carboxylate, methyl 4-amino-1h-imidazole-5-carboxylate, methyl 5-aminoimidazole-4-carboxylate, Methyl 4-amino-5-imidazolecarboxylate, methyl4-amino-1h-imidazole-5-carboxylate
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 498-17-9 |
|---|---|
| SMILES | COC(=O)C1=C(N=CN1)N |
| InChIKey | DESDXDWZSJRLDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 5-amino-1H-imidazole-4-carboxylate (CAS 498-17-9), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: methyl 4-amino-1H-imidazole-5-carboxylate.
Chemical Property Profile of methyl 5-amino-1H-imidazole-4-carboxylate
Property Insights of methyl 5-amino-1H-imidazole-4-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-1H-imidazole-4-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-1H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-1H-imidazole-4-carboxylate 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 methyl 5-amino-1H-imidazole-4-carboxylate?
The CAS number of methyl 5-amino-1H-imidazole-4-carboxylate is 498-17-9.
What is the molecular formula of methyl 5-amino-1H-imidazole-4-carboxylate?
The molecular formula of methyl 5-amino-1H-imidazole-4-carboxylate is C5H7N3O2.
What is the molecular weight of methyl 5-amino-1H-imidazole-4-carboxylate?
The molecular weight of methyl 5-amino-1H-imidazole-4-carboxylate is 141.05 g/mol.
Where can I buy methyl 5-amino-1H-imidazole-4-carboxylate?
You can request a quote for methyl 5-amino-1H-imidazole-4-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-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.