![4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid structure](/static/products/578/578747-39-4.png)
4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid
TL;DR: 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid (CAS 578747-39-4) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]benzoic acid
Also Known As: 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid, 4-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid, 4-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]amino}benzoic acid
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 0.6285 |
| Topological Polar Surface Area | 113.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 919.8541 |
Chemical Identifiers
| CAS Number | 578747-39-4 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)C(=O)O)C2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid (CAS 578747-39-4), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: 4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]benzoic acid.
Chemical Property Profile of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid
Property Insights of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid
The XLogP value of 0.6285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid. The TPSA of 113.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid. Following Lipinski's Rule of Five, 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid 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 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid?
The CAS number of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid is 578747-39-4.
What is the molecular formula of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid?
The molecular formula of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid is C15H15N3O5.
What is the molecular weight of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid?
The molecular weight of 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid is 317.10 g/mol.
Where can I buy 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid?
You can request a quote for 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.