Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate
TL;DR: Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate (CAS 77642-79-6) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-5-phenyl-1,3-dihydroimidazole-4-carboxylate
Also Known As: 4-methoxycarbonyl-2-oxo-5-phenylimidazoline, Methyl 2-oxo-5-phenyl-1,3-dihydroimidazole-4-carboxylate, methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate, methyl 2-oxo-5-phenyl-2,3-dihydro-1H-imidazole-4-carboxylate, 2-oxo-5-phenyl-1,3-dihydro-imidazole-4-carboxylic acid methyl ester
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.1566 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 554.1087 |
Chemical Identifiers
| CAS Number | 77642-79-6 |
|---|---|
| SMILES | COC(=O)C1=C(NC(=O)N1)C2=CC=CC=C2 |
Product Overview
Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate (CAS 77642-79-6), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl 2-oxo-5-phenyl-1,3-dihydroimidazole-4-carboxylate.
Chemical Property Profile of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate
Property Insights of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate
The XLogP value of 1.1566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate has 2 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 2-oxo-5-phenyl-4-imidazoline-4-carboxylate?
The CAS number of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate is 77642-79-6.
What is the molecular formula of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate?
The molecular formula of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate is C11H10N2O3.
What is the molecular weight of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate?
The molecular weight of Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate is 218.07 g/mol.
Where can I buy Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate?
You can request a quote for Methyl 2-oxo-5-phenyl-4-imidazoline-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 2-oxo-5-phenyl-4-imidazoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-oxo-5-phenyl-4-imidazoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.