7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)
TL;DR: 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) (CAS 714291-55-1) is a chemical compound with molecular formula C25H34N10O4 and molecular weight 538.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione), 3-methyl-7-[3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione, 3-methyl-7-{3-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]propyl}-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7,7'-propane-1,3-diylbis[3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione], 7,7'-propane-1,3-diylbis[6-hydroxy-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one]
| Molecular Formula | C25H34N10O4 |
|---|---|
| Molecular Weight | 538.28 g/mol |
| LogP | 0.2309 |
| Topological Polar Surface Area | 151.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.2764 |
| Heavy Atoms | 39 |
| Complexity | 1643.1755 |
Chemical Identifiers
| CAS Number | 714291-55-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCN4C5=C(N=C4N6CCCCC6)N(C(=O)NC5=O)C |
Product Overview
7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) (CAS 714291-55-1), with molecular formula C25H34N10O4 and molecular weight 538.28 g/mol. IUPAC: 3-methyl-7-[3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)
Property Insights of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)
The XLogP value of 0.2309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione). The TPSA of 151.84 Ų indicates high polarity, suggesting 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) has 2 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 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)?
The CAS number of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) is 714291-55-1.
What is the molecular formula of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)?
The molecular formula of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) is C25H34N10O4.
What is the molecular weight of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)?
The molecular weight of 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) is 538.28 g/mol.
Where can I buy 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)?
You can request a quote for 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione)?
Yes, KEHONG BIO provides custom synthesis services for 7,7'-(propane-1,3-diyl)bis(3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.