(E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 1164500-33-7) is a chemical compound with molecular formula C17H22ClN7O2 and molecular weight 391.15234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(E)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1352-0007, 7-[(E)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione, 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C17H22ClN7O2 |
| Molecular Weight | 391.15234 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.15234 Da |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
| SMILES | C/C(=C\CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)N(C2=O)C)C)/Cl |
| InChIKey | KCDUTSOUNWEPQT-LFYBBSHMSA-N |
Chemical Property Profile of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 1164500-33-7.
What is the molecular formula of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C17H22ClN7O2.
What is the molecular weight of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 391.15234 g/mol.
Where can I buy (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for (E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.