![4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid structure](/static/products/673/673445-01-7.png)
4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
TL;DR: 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 673445-01-7) is a chemical compound with molecular formula C22H21N3O7 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid
Also Known As: 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid, (E)-4-(((1-(3,4-dimethoxyphenethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 4-[[(E)-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]benzoic acid, 4-{[(E)-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]amino}benzoic acid
| Molecular Formula | C22H21N3O7 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 1.9509 |
| Topological Polar Surface Area | 143.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.13794 |
| Heavy Atoms | 32 |
| Complexity | 1274.1625 |
Chemical Identifiers
| CAS Number | 673445-01-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C=NC3=CC=C(C=C3)C(=O)O)O)OC |
Product Overview
4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid (CAS 673445-01-7), with molecular formula C22H21N3O7 and molecular weight 439.14 g/mol. IUPAC: 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoic acid.
Chemical Property Profile of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
Property Insights of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid
The XLogP value of 1.9509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid. The TPSA of 143.21 Ų indicates high polarity, suggesting 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid has 3 hydrogen bond donor(s) and 7 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-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The CAS number of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 673445-01-7.
What is the molecular formula of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular formula of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is C22H21N3O7.
What is the molecular weight of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
The molecular weight of 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid is 439.14 g/mol.
Where can I buy 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
You can request a quote for 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]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-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.