RefChem:442719
TL;DR: RefChem:442719 (CAS 476481-31-9) is a chemical compound with molecular formula C22H18N8O5 and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 2,4,5,6(1H,3H)-PYRIMIDINETETRONE 5-{[1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE}, 2,4,5,6(1H,3H)-PYRIMIDINETETRONE 5-((1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE), 5-[[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione, 631-913-8, RefChem:442719
| Molecular Formula | C22H18N8O5 |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 1.1328 |
| Topological Polar Surface Area | 172.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.14 |
| Heavy Atoms | 35 |
| Complexity | 1899.1831 |
Chemical Identifiers
| CAS Number | 476481-31-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NC3=C(NC(=O)NC3=O)O)CC4=CC=CC5=CC=CC=C54 |
Product Overview
RefChem:442719 (CAS 476481-31-9), with molecular formula C22H18N8O5 and molecular weight 474.14 g/mol. IUPAC: 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of RefChem:442719
Property Insights of RefChem:442719
The XLogP value of 1.1328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:442719. The TPSA of 172.49 Ų indicates high polarity, suggesting RefChem:442719 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:442719 has 3 hydrogen bond donor(s) and 8 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:442719?
The CAS number of RefChem:442719 is 476481-31-9.
What is the molecular formula of RefChem:442719?
The molecular formula of RefChem:442719 is C22H18N8O5.
What is the molecular weight of RefChem:442719?
The molecular weight of RefChem:442719 is 474.14 g/mol.
Where can I buy RefChem:442719?
You can request a quote for RefChem:442719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:442719?
Yes, KEHONG BIO provides custom synthesis services for RefChem:442719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.