RefChem:791918
TL;DR: RefChem:791918 (CAS 478252-72-1) is a chemical compound with molecular formula C23H19N7O2 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
Also Known As: isonicotinaldehyde [3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone, 3-methyl-7-(naphthalen-1-ylmethyl)-8-(2-(pyridin-4-ylmethylidene)hydrazinyl)purine-2,6-dione, 631-645-1, Isonicotinaldehyde (3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazone, RefChem:791918
| Molecular Formula | C23H19N7O2 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 2.4658 |
| Topological Polar Surface Area | 109.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.16003 |
| Heavy Atoms | 32 |
| Complexity | 1574.3905 |
Chemical Identifiers
| CAS Number | 478252-72-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=NC=C3)CC4=CC=CC5=CC=CC=C54 |
Product Overview
RefChem:791918 (CAS 478252-72-1), with molecular formula C23H19N7O2 and molecular weight 425.16 g/mol. IUPAC: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:791918
Property Insights of RefChem:791918
The XLogP value of 2.4658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:791918. The TPSA of 109.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:791918. Following Lipinski's Rule of Five, RefChem:791918 has 2 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:791918?
The CAS number of RefChem:791918 is 478252-72-1.
What is the molecular formula of RefChem:791918?
The molecular formula of RefChem:791918 is C23H19N7O2.
What is the molecular weight of RefChem:791918?
The molecular weight of RefChem:791918 is 425.16 g/mol.
Where can I buy RefChem:791918?
You can request a quote for RefChem:791918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:791918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:791918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.