N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide
TL;DR: N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide (CAS 797799-18-9) is a chemical compound with molecular formula C28H26N4O2 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide
Also Known As: N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide, N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide, N,N-diethyl-4-({4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-yl}amino)benzamide
| Molecular Formula | C28H26N4O2 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 5.5344 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.20557 |
| Heavy Atoms | 34 |
| Complexity | 1321.6238 |
Chemical Identifiers
| CAS Number | 797799-18-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC#C |
Product Overview
N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide (CAS 797799-18-9), with molecular formula C28H26N4O2 and molecular weight 450.21 g/mol. IUPAC: N,N-diethyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide.
Chemical Property Profile of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide
Property Insights of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide
The XLogP value of 5.5344 indicates that N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide. Following Lipinski's Rule of Five, N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide?
The CAS number of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide is 797799-18-9.
What is the molecular formula of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide?
The molecular formula of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide is C28H26N4O2.
What is the molecular weight of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide?
The molecular weight of N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide is 450.21 g/mol.
Where can I buy N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide?
You can request a quote for N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-((4-(4-(prop-2-yn-1-yloxy)phenyl)phthalazin-1-yl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.