2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
TL;DR: 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester (CAS 40361-77-1) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-methylimidazole-4-carboxylate
Also Known As: Methyl 2-amino-1-methyl-1H-imidazole-5-carboxylate, 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester, methyl 2-amino-3-methylimidazole-4-carboxylate, 5423AB, METHYL 2-AMINO-3-METHYL-3H-IMIDAZOLE-4-CARBOXYLATE
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 40361-77-1 |
|---|---|
| SMILES | CN1C(=CN=C1N)C(=O)OC |
| InChIKey | AGTFPPSFIJQSLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester (CAS 40361-77-1), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: methyl 2-amino-3-methylimidazole-4-carboxylate.
Chemical Property Profile of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
Property Insights of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester 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 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester?
The CAS number of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester is 40361-77-1.
What is the molecular formula of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester?
The molecular formula of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester is C6H9N3O2.
What is the molecular weight of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester?
The molecular weight of 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester is 155.07 g/mol.
Where can I buy 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester?
You can request a quote for 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.