Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate
TL;DR: Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate (CAS 899952-07-9) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetate
Also Known As: VU0496591-1, F2758-0024, ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate, ethyl 2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetate, 4-[(ethoxycarbonylcarbonylamino)methyl]-1(2H)-phthalazinone
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 0.1024 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 708.07367 |
Chemical Identifiers
| CAS Number | 899952-07-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=NNC(=O)C2=CC=CC=C21 |
Product Overview
Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate (CAS 899952-07-9), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: ethyl 2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetate.
Chemical Property Profile of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate
Property Insights of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate
The XLogP value of 0.1024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate. Following Lipinski's Rule of Five, Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate has 2 hydrogen bond donor(s) and 5 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 Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate?
The CAS number of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate is 899952-07-9.
What is the molecular formula of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate?
The molecular formula of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate is C13H13N3O4.
What is the molecular weight of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate?
The molecular weight of Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate is 275.09 g/mol.
Where can I buy Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate?
You can request a quote for Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-2-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.