Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate
TL;DR: Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate (CAS 104316-76-9) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-1-benzylimidazole-4-carboxylate
Also Known As: Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate, methyl 5-amino-1-benzylimidazole-4-carboxylate, 1H-Imidazole-4-carboxylic acid, 5-amino-1-(phenylmethyl)-, methylester, methyl 5-amino-1-benzyl-imidazole-4-carboxylate, Methyl5-amino-1-benzyl-1H-imidazole-4-carboxylate
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 104316-76-9 |
|---|---|
| SMILES | COC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)N |
| InChIKey | TZURRKPJPAPVDG-UHFFFAOYSA-N |
Product Overview
Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate (CAS 104316-76-9), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: methyl 5-amino-1-benzylimidazole-4-carboxylate.
Chemical Property Profile of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate
Property Insights of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate has 1 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-1-benzyl-1H-imidazole-4-carboxylate?
The CAS number of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate is 104316-76-9.
What is the molecular formula of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate?
The molecular formula of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate is C12H13N3O2.
What is the molecular weight of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate?
The molecular weight of Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate is 231.10 g/mol.
Where can I buy Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate?
You can request a quote for Methyl 5-amino-1-benzyl-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-1-benzyl-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-amino-1-benzyl-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.