(E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid
TL;DR: (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid (CAS 716340-35-1) is a chemical compound with molecular formula C15H13BrN4O5S and molecular weight 439.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[1-(3-bromophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]acetyl]amino]acetic acid
Also Known As: (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid, 2-[[2-[[(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]amino]acetyl]amino]acetic acid, 2-[[2-[[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]acetyl]amino]acetic acid, N-{(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}glycylglycine
| Molecular Formula | C15H13BrN4O5S |
|---|---|
| Molecular Weight | 439.98 g/mol |
| LogP | 0.98289 |
| Topological Polar Surface Area | 136.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.979 |
| Heavy Atoms | 26 |
| Complexity | 998.2618 |
Chemical Identifiers
| CAS Number | 716340-35-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N2C(=C(C(=O)NC2=S)C=NCC(=O)NCC(=O)O)O |
Product Overview
(E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid (CAS 716340-35-1), with molecular formula C15H13BrN4O5S and molecular weight 439.98 g/mol. IUPAC: 2-[[2-[[1-(3-bromophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]acetyl]amino]acetic acid.
Chemical Property Profile of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid
Property Insights of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid
The XLogP value of 0.98289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid. The TPSA of 136.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid. Following Lipinski's Rule of Five, (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid has 4 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 (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid?
The CAS number of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid is 716340-35-1.
What is the molecular formula of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid?
The molecular formula of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid is C15H13BrN4O5S.
What is the molecular weight of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid?
The molecular weight of (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid is 439.98 g/mol.
Where can I buy (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid?
You can request a quote for (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(((1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)acetamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.