1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)
TL;DR: 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) (CAS 253151-99-4) is a chemical compound with molecular formula C10H4BrClN6O8 and molecular weight 449.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-bromo-2-chloro-1-(5-nitro-2,4-dioxopyrimidin-1-yl)ethenyl]-5-nitropyrimidine-2,4-dione
Also Known As: 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione), 1-[2-bromo-2-chloro-1-(5-nitro-2,4-dioxo-pyrimidin-1-yl)ethenyl]-5-nitro-pyrimidine-2,4-dione, 1-[2-bromo-2-chloro-1-(5-nitro-2,4-dioxopyrimidin-1-yl)ethenyl]-5-nitropyrimidine-2,4-dione
| Molecular Formula | C10H4BrClN6O8 |
|---|---|
| Molecular Weight | 449.90 g/mol |
| LogP | -0.71411 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.89624 |
| Heavy Atoms | 26 |
| Complexity | 1111.9673 |
Chemical Identifiers
| CAS Number | 253151-99-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1C(=C(Cl)Br)N2C=C(C(=O)NC2=O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) (CAS 253151-99-4), with molecular formula C10H4BrClN6O8 and molecular weight 449.90 g/mol. IUPAC: 1-[2-bromo-2-chloro-1-(5-nitro-2,4-dioxopyrimidin-1-yl)ethenyl]-5-nitropyrimidine-2,4-dione.
Chemical Property Profile of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)
Property Insights of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)
The XLogP value of -0.71411 indicates that 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) has 2 hydrogen bond donor(s) and 8 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 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)?
The CAS number of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) is 253151-99-4.
What is the molecular formula of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)?
The molecular formula of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) is C10H4BrClN6O8.
What is the molecular weight of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)?
The molecular weight of 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) is 449.90 g/mol.
Where can I buy 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)?
You can request a quote for 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2-bromo-2-chloroethene-1,1-diyl)bis(5-nitropyrimidine-2,4(1H,3H)-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.