1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione
TL;DR: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione (CAS 372976-98-2) is a chemical compound with molecular formula C27H27N7O2 and molecular weight 481.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione
Also Known As: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[4-(pyridin-2-yl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(1-naphthylmethyl)-8-[4-(2-pyridinyl)-1-piperazinyl]-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-(pyridin-2-yl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C27H27N7O2 |
|---|---|
| Molecular Weight | 481.22 g/mol |
| LogP | 2.3568 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.22263 |
| Heavy Atoms | 36 |
| Complexity | 1687.9463 |
Chemical Identifiers
| CAS Number | 372976-98-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=N4)CC5=CC=CC6=CC=CC=C65 |
Product Overview
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione (CAS 372976-98-2), with molecular formula C27H27N7O2 and molecular weight 481.22 g/mol. IUPAC: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione
Property Insights of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione
The XLogP value of 2.3568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione has 0 hydrogen bond donor(s) and 6 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 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione is 372976-98-2.
What is the molecular formula of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione is C27H27N7O2.
What is the molecular weight of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione is 481.22 g/mol.
Where can I buy 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.