RefChem:521918
TL;DR: RefChem:521918 (CAS 478252-67-4) is a chemical compound with molecular formula C24H19ClN6O2 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 4-chlorobenzaldehyde [3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone, (E)-8-(2-(4-chlorobenzylidene)hydrazinyl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 4-Chlorobenzaldehyde (3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazone, 631-639-9, 8-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C24H19ClN6O2 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 3.7242 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1258 |
| Heavy Atoms | 33 |
| Complexity | 1624.4767 |
Chemical Identifiers
| CAS Number | 478252-67-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Cl)CC4=CC=CC5=CC=CC=C54 |
Product Overview
RefChem:521918 (CAS 478252-67-4), with molecular formula C24H19ClN6O2 and molecular weight 458.13 g/mol. IUPAC: 8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of RefChem:521918
Property Insights of RefChem:521918
The XLogP value of 3.7242 indicates that RefChem:521918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:521918. Following Lipinski's Rule of Five, RefChem:521918 has 2 hydrogen bond donor(s) and 5 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:521918?
The CAS number of RefChem:521918 is 478252-67-4.
What is the molecular formula of RefChem:521918?
The molecular formula of RefChem:521918 is C24H19ClN6O2.
What is the molecular weight of RefChem:521918?
The molecular weight of RefChem:521918 is 458.13 g/mol.
Where can I buy RefChem:521918?
You can request a quote for RefChem:521918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:521918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:521918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.