Ethyl 1-trityl-1H-imidazole-4-carboxylate
TL;DR: Ethyl 1-trityl-1H-imidazole-4-carboxylate (CAS 53525-60-3) is a chemical compound with molecular formula C25H22N2O2 and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-tritylimidazole-4-carboxylate
Also Known As: Ethyl 1-trityl-1H-imidazole-4-carboxylate, ethyl 1-tritylimidazole-4-carboxylate, 4-Imidazolic acid, 1-triphenylmethyl-, ethyl ester, 4CH-003021, Ethyl 1-trityl-1H-imidazole-4-carboxylate #
| Molecular Formula | C25H22N2O2 |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.16812 |
| Heavy Atoms | 29 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 53525-60-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | KXDKACKOPKUCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-trityl-1H-imidazole-4-carboxylate (CAS 53525-60-3), with molecular formula C25H22N2O2 and molecular weight 382.17 g/mol. IUPAC: ethyl 1-tritylimidazole-4-carboxylate.
Chemical Property Profile of Ethyl 1-trityl-1H-imidazole-4-carboxylate
Property Insights of Ethyl 1-trityl-1H-imidazole-4-carboxylate
The XLogP value of 5.3 indicates that Ethyl 1-trityl-1H-imidazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Ethyl 1-trityl-1H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-trityl-1H-imidazole-4-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1-trityl-1H-imidazole-4-carboxylate?
The CAS number of Ethyl 1-trityl-1H-imidazole-4-carboxylate is 53525-60-3.
What is the molecular formula of Ethyl 1-trityl-1H-imidazole-4-carboxylate?
The molecular formula of Ethyl 1-trityl-1H-imidazole-4-carboxylate is C25H22N2O2.
What is the molecular weight of Ethyl 1-trityl-1H-imidazole-4-carboxylate?
The molecular weight of Ethyl 1-trityl-1H-imidazole-4-carboxylate is 382.17 g/mol.
Where can I buy Ethyl 1-trityl-1H-imidazole-4-carboxylate?
You can request a quote for Ethyl 1-trityl-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 Ethyl 1-trityl-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-trityl-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.