![(5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione structure](/static/products/714/714253-78-8.png)
(5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
TL;DR: (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 714253-78-8) is a chemical compound with molecular formula C18H16N6O6 and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[N-[3-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]-1H-pyrimidine-2,4-dione
Also Known As: (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione, 5,5'-((1,3-phenylenebis(azanediyl))bis(ethan-1-yl-1-ylidene))bis(pyrimidine-2,4,6(1H,3H,5H)-trione), 5-[1-[3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]anilino]ethylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H16N6O6 |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 0.1324 |
| Topological Polar Surface Area | 196.62 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.11313 |
| Heavy Atoms | 30 |
| Complexity | 1317.55 |
Chemical Identifiers
| CAS Number | 714253-78-8 |
|---|---|
| SMILES | CC(=NC1=CC(=CC=C1)N=C(C)C2=C(NC(=O)NC2=O)O)C3=C(NC(=O)NC3=O)O |
Product Overview
(5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 714253-78-8), with molecular formula C18H16N6O6 and molecular weight 412.11 g/mol. IUPAC: 6-hydroxy-5-[N-[3-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]phenyl]-C-methylcarbonimidoyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Property Insights of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
The XLogP value of 0.1324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione. The TPSA of 196.62 Ų indicates high polarity, suggesting (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The CAS number of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione is 714253-78-8.
What is the molecular formula of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione is C18H16N6O6.
What is the molecular weight of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione is 412.11 g/mol.
Where can I buy (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-{1-[(3-{[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]amino}phenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.