(E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid
TL;DR: (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid (CAS 714932-44-2) is a chemical compound with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]benzoic acid
Also Known As: (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid, 3-[1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)propylamino]benzoic Acid, 3-[[(1E)-1-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid, 3-{1-[1-Allyl-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidene]-propylamino}-benzoic acid, 3-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoic acid
| Molecular Formula | C17H17N3O5 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 1.6572 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.11682 |
| Heavy Atoms | 25 |
| Complexity | 968.9791 |
Chemical Identifiers
| CAS Number | 714932-44-2 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(=O)O)C2=C(N(C(=O)NC2=O)CC=C)O |
Product Overview
(E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid (CAS 714932-44-2), with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol. IUPAC: 3-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)propylideneamino]benzoic acid.
Chemical Property Profile of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid
Property Insights of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid
The XLogP value of 1.6572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid. The TPSA of 124.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid. Following Lipinski's Rule of Five, (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid has 3 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 (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid?
The CAS number of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid is 714932-44-2.
What is the molecular formula of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid?
The molecular formula of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid is C17H17N3O5.
What is the molecular weight of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid?
The molecular weight of (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid is 343.12 g/mol.
Where can I buy (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid?
You can request a quote for (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.