(E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 478253-38-2) is a chemical compound with molecular formula C15H15ClN8O5 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione
Also Known As: (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione, (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-[(2Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 5-[[7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C15H15ClN8O5 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 0.0739 |
| Topological Polar Surface Area | 172.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0854 |
| Heavy Atoms | 29 |
| Complexity | 1413.9355 |
Chemical Identifiers
| CAS Number | 478253-38-2 |
|---|---|
| SMILES | C/C(=C\CN1C2=C(N=C1N=NC3=C(NC(=O)NC3=O)O)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
(E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 478253-38-2), with molecular formula C15H15ClN8O5 and molecular weight 422.09 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.0739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 172.49 Ų indicates high polarity, suggesting (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione has 3 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 (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 478253-38-2.
What is the molecular formula of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is C15H15ClN8O5.
What is the molecular weight of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 422.09 g/mol.
Where can I buy (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2-(7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.