RefChem:470366
TL;DR: RefChem:470366 (CAS 478252-76-5) is a chemical compound with molecular formula C25H21ClN6O2 and molecular weight 472.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 2-CHLOROBENZALDEHYDE [1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE, (E)-8-(2-(2-chlorobenzylidene)hydrazinyl)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, (8E)-8-[(2E)-(2-chlorobenzylidene)hydrazinylidene]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 2-Chlorobenzaldehyde (1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)hydrazone, 631-654-0
| Molecular Formula | C25H21ClN6O2 |
|---|---|
| Molecular Weight | 472.14 g/mol |
| LogP | 3.7346 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.14145 |
| Heavy Atoms | 34 |
| Complexity | 1690.8652 |
Chemical Identifiers
| CAS Number | 478252-76-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54 |
Product Overview
RefChem:470366 (CAS 478252-76-5), with molecular formula C25H21ClN6O2 and molecular weight 472.14 g/mol. IUPAC: 8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of RefChem:470366
Property Insights of RefChem:470366
The XLogP value of 3.7346 indicates that RefChem:470366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:470366. Following Lipinski's Rule of Five, RefChem:470366 has 1 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:470366?
The CAS number of RefChem:470366 is 478252-76-5.
What is the molecular formula of RefChem:470366?
The molecular formula of RefChem:470366 is C25H21ClN6O2.
What is the molecular weight of RefChem:470366?
The molecular weight of RefChem:470366 is 472.14 g/mol.
Where can I buy RefChem:470366?
You can request a quote for RefChem:470366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:470366?
Yes, KEHONG BIO provides custom synthesis services for RefChem:470366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.