RefChem:372298
TL;DR: RefChem:372298 (CAS 70454-33-0) is a chemical compound with molecular formula C21H27N7O3 and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]butyl]purine-2,6-dione
Also Known As: 5-26-14-00034 (Beilstein Handbook Reference), Piperazine, 1-(3-pyridinylcarbonyl)-4-(4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl)-, 1,3-dimethyl-7-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]butyl]purine-2,6-dione, 1,3-Dimethyl-7-{4-[4-(pyridine-3-carbonyl)piperazin-1-yl]butyl}-3,7-dihydro-1H-purine-2,6-dione, BRN 1190114
| Molecular Formula | C21H27N7O3 |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 0.0669 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.21753 |
| Heavy Atoms | 31 |
| Complexity | 1187.3892 |
Chemical Identifiers
| CAS Number | 70454-33-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCN(CC3)C(=O)C4=CN=CC=C4 |
Product Overview
RefChem:372298 (CAS 70454-33-0), with molecular formula C21H27N7O3 and molecular weight 425.22 g/mol. IUPAC: 1,3-dimethyl-7-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]butyl]purine-2,6-dione.
Chemical Property Profile of RefChem:372298
Property Insights of RefChem:372298
The XLogP value of 0.0669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:372298. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372298. Following Lipinski's Rule of Five, RefChem:372298 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 RefChem:372298?
The CAS number of RefChem:372298 is 70454-33-0.
What is the molecular formula of RefChem:372298?
The molecular formula of RefChem:372298 is C21H27N7O3.
What is the molecular weight of RefChem:372298?
The molecular weight of RefChem:372298 is 425.22 g/mol.
Where can I buy RefChem:372298?
You can request a quote for RefChem:372298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372298?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.