Methyl 5-methyl-1H-imidazole-4-carboxylate
TL;DR: Methyl 5-methyl-1H-imidazole-4-carboxylate (CAS 78892-68-9) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-1H-imidazole-4-carboxylate
Also Known As: methyl 4-methyl-1H-imidazole-5-carboxylate, Methyl 5-methyl-1H-imidazole-4-carboxylate, 1H-Imidazole-5-carboxylicacid, 4-methyl-, methyl ester, methyl4-methyl-1H-imidazole-5-carboxylate, METHYL 5-METHYL-4-IMIDAZOLECARBOXYLATE
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 78892-68-9 |
|---|---|
| SMILES | CC1=C(N=CN1)C(=O)OC |
| InChIKey | IDGRFJQRPSMHHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-methyl-1H-imidazole-4-carboxylate (CAS 78892-68-9), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: methyl 5-methyl-1H-imidazole-4-carboxylate.
Chemical Property Profile of Methyl 5-methyl-1H-imidazole-4-carboxylate
Property Insights of Methyl 5-methyl-1H-imidazole-4-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-1H-imidazole-4-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Methyl 5-methyl-1H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-methyl-1H-imidazole-4-carboxylate has 1 hydrogen bond donor(s) and 3 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-methyl-1H-imidazole-4-carboxylate?
The CAS number of Methyl 5-methyl-1H-imidazole-4-carboxylate is 78892-68-9.
What is the molecular formula of Methyl 5-methyl-1H-imidazole-4-carboxylate?
The molecular formula of Methyl 5-methyl-1H-imidazole-4-carboxylate is C6H8N2O2.
What is the molecular weight of Methyl 5-methyl-1H-imidazole-4-carboxylate?
The molecular weight of Methyl 5-methyl-1H-imidazole-4-carboxylate is 140.06 g/mol.
Where can I buy Methyl 5-methyl-1H-imidazole-4-carboxylate?
You can request a quote for Methyl 5-methyl-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-methyl-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.