![N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine structure](/static/products/1044/1044733-86-9.webp)
N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine
TL;DR: N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine (CAS 1044733-86-9) is a chemical compound with molecular formula C14H12BrN3O8S and molecular weight 460.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-sulfopropanoic acid
Also Known As: N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine, N-{[1-(4-Bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-3-sulfoalanine, (E)-2-(((1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-sulfopropanoic acid, 2-[[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]-3-sulfopropanoic acid, 2-[[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]-3-sulfo-propanoic Acid
| Molecular Formula | C14H12BrN3O8S |
|---|---|
| Molecular Weight | 460.95 g/mol |
| LogP | -0.2462 |
| Topological Polar Surface Area | 179.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.95285 |
| Heavy Atoms | 27 |
| Complexity | 1118.5319 |
Chemical Identifiers
| CAS Number | 1044733-86-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C(=O)NC2=O)C=NC(CS(=O)(=O)O)C(=O)O)O)Br |
Product Overview
N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine (CAS 1044733-86-9), with molecular formula C14H12BrN3O8S and molecular weight 460.95 g/mol. IUPAC: 2-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-sulfopropanoic acid.
Chemical Property Profile of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine
Property Insights of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine
The XLogP value of -0.2462 indicates that N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.12 Ų indicates high polarity, suggesting N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine has 4 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 N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine?
The CAS number of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine is 1044733-86-9.
What is the molecular formula of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine?
The molecular formula of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine is C14H12BrN3O8S.
What is the molecular weight of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine?
The molecular weight of N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine is 460.95 g/mol.
Where can I buy N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine?
You can request a quote for N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine?
Yes, KEHONG BIO provides custom synthesis services for N-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-3-sulfoalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.