RefChem:1084742
TL;DR: RefChem:1084742 (CAS 52781-11-0) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate
Also Known As: 5-25-14-00103 (Beilstein Handbook Reference), Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, ethyl ester, ((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxoacetic acid ethyl ester, ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate, Ethyl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate
Technical Specifications
| Molecular Formula | C15H17N3O4 |
| Molecular Weight | 303.12192 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12192 Da |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
| SMILES | CCOC(=O)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
| InChIKey | PSEBDQHBGBBFGY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1084742
Property Insights of RefChem:1084742
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084742. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084742. Following Lipinski's Rule of Five, RefChem:1084742 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1084742?
The CAS number of RefChem:1084742 is 52781-11-0.
What is the molecular formula of RefChem:1084742?
The molecular formula of RefChem:1084742 is C15H17N3O4.
What is the molecular weight of RefChem:1084742?
The molecular weight of RefChem:1084742 is 303.12192 g/mol.
Where can I buy RefChem:1084742?
You can request a quote for RefChem:1084742 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084742?
Yes, CoreyChem provides custom synthesis services for RefChem:1084742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.