![4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) structure](/static/products/4136/413609-33-3.webp)
4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)
TL;DR: 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) (CAS 413609-33-3) is a chemical compound with molecular formula C30H26N4O6 and molecular weight 538.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[6-[4-(3-carboxypropanoylamino)phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobutanoic acid
Also Known As: 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid), 3-[N-(4-{6-[4-(3-carboxypropanoylamino)phenyl]-2-phenylpyrimidin-4-yl}phenyl)c arbamoyl]propanoic acid, 4,4'-(((2-phenylpyrimidine-4,6-diyl)bis(4,1-phenylene))bis(azanediyl))bis(4-oxobutanoic acid), 4-[4-[6-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobutanoic acid
| Molecular Formula | C30H26N4O6 |
|---|---|
| Molecular Weight | 538.19 g/mol |
| LogP | 5.0842 |
| Topological Polar Surface Area | 158.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 538.18524 |
| Heavy Atoms | 40 |
| Complexity | 1426.8463 |
Chemical Identifiers
| CAS Number | 413609-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=CC=C(C=C3)NC(=O)CCC(=O)O)C4=CC=C(C=C4)NC(=O)CCC(=O)O |
Product Overview
4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) (CAS 413609-33-3), with molecular formula C30H26N4O6 and molecular weight 538.19 g/mol. IUPAC: 4-[4-[6-[4-(3-carboxypropanoylamino)phenyl]-2-phenylpyrimidin-4-yl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)
Property Insights of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)
The XLogP value of 5.0842 indicates that 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.58 Ų indicates high polarity, suggesting 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)?
The CAS number of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) is 413609-33-3.
What is the molecular formula of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)?
The molecular formula of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) is C30H26N4O6.
What is the molecular weight of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)?
The molecular weight of 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) is 538.19 g/mol.
Where can I buy 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)?
You can request a quote for 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-[(2-phenylpyrimidine-4,6-diyl)bis(benzene-4,1-diylimino)]bis(4-oxobutanoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.