5-26-14-00029 (Beilstein Handbook Reference)
TL;DR: 5-26-14-00029 (Beilstein Handbook Reference) (CAS 70454-32-9) is a chemical compound with molecular formula C20H25N7O3 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione
Also Known As: 5-26-14-00029 (Beilstein Handbook Reference), Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl)-, 1,3-dimethyl-7-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione, 1,3-Dimethyl-7-{3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl}-3,7-dihydro-1H-purine-2,6-dione, BRN 1187854
| Molecular Formula | C20H25N7O3 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | -0.3232 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.20187 |
| Heavy Atoms | 30 |
| Complexity | 1170.8136 |
Chemical Identifiers
| CAS Number | 70454-32-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C(=O)C4=CN=CC=C4 |
Product Overview
5-26-14-00029 (Beilstein Handbook Reference) (CAS 70454-32-9), with molecular formula C20H25N7O3 and molecular weight 411.20 g/mol. IUPAC: 1,3-dimethyl-7-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propyl]purine-2,6-dione.
Chemical Property Profile of 5-26-14-00029 (Beilstein Handbook Reference)
Property Insights of 5-26-14-00029 (Beilstein Handbook Reference)
The XLogP value of -0.3232 indicates that 5-26-14-00029 (Beilstein Handbook Reference) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-26-14-00029 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-26-14-00029 (Beilstein Handbook Reference) 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 5-26-14-00029 (Beilstein Handbook Reference)?
The CAS number of 5-26-14-00029 (Beilstein Handbook Reference) is 70454-32-9.
What is the molecular formula of 5-26-14-00029 (Beilstein Handbook Reference)?
The molecular formula of 5-26-14-00029 (Beilstein Handbook Reference) is C20H25N7O3.
What is the molecular weight of 5-26-14-00029 (Beilstein Handbook Reference)?
The molecular weight of 5-26-14-00029 (Beilstein Handbook Reference) is 411.20 g/mol.
Where can I buy 5-26-14-00029 (Beilstein Handbook Reference)?
You can request a quote for 5-26-14-00029 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-26-14-00029 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-26-14-00029 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.