![3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid structure](/static/products/843/843633-57-8.png)
3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid
TL;DR: 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid (CAS 843633-57-8) is a chemical compound with molecular formula C20H17N3O6 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]benzoic acid
Also Known As: 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid, (Z)-3-((1-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)ethyl)amino)benzoic acid, 3-({(1Z)-1-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoic acid, 3-[[(1Z)-1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethyl]amino]benzoic acid
| Molecular Formula | C20H17N3O6 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.0789 |
| Topological Polar Surface Area | 133.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.11172 |
| Heavy Atoms | 29 |
| Complexity | 1222.1993 |
Chemical Identifiers
| CAS Number | 843633-57-8 |
|---|---|
| SMILES | CC(=NC1=CC=CC(=C1)C(=O)O)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)OC)O |
Product Overview
3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid (CAS 843633-57-8), with molecular formula C20H17N3O6 and molecular weight 395.11 g/mol. IUPAC: 3-[1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]benzoic acid.
Chemical Property Profile of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid
Property Insights of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid
The XLogP value of 2.0789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid. The TPSA of 133.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid. Following Lipinski's Rule of Five, 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid has 3 hydrogen bond donor(s) and 6 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 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid?
The CAS number of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid is 843633-57-8.
What is the molecular formula of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid?
The molecular formula of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid is C20H17N3O6.
What is the molecular weight of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid?
The molecular weight of 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid is 395.11 g/mol.
Where can I buy 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid?
You can request a quote for 3-[1-[1-(4-methoxyphenyl)-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 3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-[1-(4-methoxyphenyl)-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.