Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate
TL;DR: Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate (CAS 899745-40-5) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-4-[(4-oxo-3H-phthalazin-1-yl)methylamino]butanoate
Also Known As: VU0496592-1, F2758-0025, ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate, ethyl 4-oxo-4-[(4-oxo-3H-phthalazin-1-yl)methylamino]butanoate, ethyl 3-{[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]carbamoyl}propanoate
| Molecular Formula | C15H17N3O4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 0.8826 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.12192 |
| Heavy Atoms | 22 |
| Complexity | 738.89014 |
Chemical Identifiers
| CAS Number | 899745-40-5 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NCC1=NNC(=O)C2=CC=CC=C21 |
Product Overview
Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate (CAS 899745-40-5), with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol. IUPAC: ethyl 4-oxo-4-[(4-oxo-3H-phthalazin-1-yl)methylamino]butanoate.
Chemical Property Profile of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate
Property Insights of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate
The XLogP value of 0.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate. Following Lipinski's Rule of Five, Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate 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 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate?
The CAS number of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate is 899745-40-5.
What is the molecular formula of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate?
The molecular formula of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate is C15H17N3O4.
What is the molecular weight of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate?
The molecular weight of Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate is 303.12 g/mol.
Where can I buy Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate?
You can request a quote for Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4-(((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)amino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.