RefChem:279990
TL;DR: RefChem:279990 (CAS 76614-52-3) is a chemical compound with molecular formula C15H15F3N2O4 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,5-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetate
Also Known As: 3-Imidazolidineacetic acid, 2,4-dioxo-5-(m-(trifluoromethyl)benzyl)-, ethyl ester, 2,4-Dioxo-5-(m-(trifluoromethyl)benzyl)-3-imidazolidineacetic acid ethyl ester, ETHYL2-[2,5-DIOXO-4-[[3-(TRIFLUOROMETHYL)PHENYL]METHYL]IMIDAZOLIDIN-1-YL]ACETATE, ethyl 2-[2,5-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetate, Ethyl (2-hydroxy-5-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-imidazol-1-yl)acetate
| Molecular Formula | C15H15F3N2O4 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.0984 |
| Heavy Atoms | 24 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 76614-52-3 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(NC1=O)CC2=CC(=CC=C2)C(F)(F)F |
| InChIKey | JVFDGCGDQFBEBJ-UHFFFAOYSA-N |
Product Overview
RefChem:279990 (CAS 76614-52-3), with molecular formula C15H15F3N2O4 and molecular weight 344.10 g/mol. IUPAC: ethyl 2-[2,5-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetate.
Chemical Property Profile of RefChem:279990
Property Insights of RefChem:279990
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:279990. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:279990. Following Lipinski's Rule of Five, RefChem:279990 has 1 hydrogen bond donor(s) and 7 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 RefChem:279990?
The CAS number of RefChem:279990 is 76614-52-3.
What is the molecular formula of RefChem:279990?
The molecular formula of RefChem:279990 is C15H15F3N2O4.
What is the molecular weight of RefChem:279990?
The molecular weight of RefChem:279990 is 344.10 g/mol.
Where can I buy RefChem:279990?
You can request a quote for RefChem:279990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:279990?
Yes, KEHONG BIO provides custom synthesis services for RefChem:279990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.