RefChem:525910
TL;DR: RefChem:525910 (CAS 478252-64-1) is a chemical compound with molecular formula C24H19N7O4 and molecular weight 469.15 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-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: 4-nitrobenzaldehyde [3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone, (E)-3-methyl-7-(naphthalen-1-ylmethyl)-8-(2-(4-nitrobenzylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(naphthalen-1-ylmethyl)-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione, 4-NITROBENZALDEHYDE (3-METHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE, 6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C24H19N7O4 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 2.979 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.14984 |
| Heavy Atoms | 35 |
| Complexity | 1724.4844 |
Chemical Identifiers
| CAS Number | 478252-64-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54 |
Product Overview
RefChem:525910 (CAS 478252-64-1), with molecular formula C24H19N7O4 and molecular weight 469.15 g/mol. IUPAC: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:525910
Property Insights of RefChem:525910
The XLogP value of 2.979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:525910. The TPSA of 140.21 Ų indicates high polarity, suggesting RefChem:525910 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:525910 has 2 hydrogen bond donor(s) and 7 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:525910?
The CAS number of RefChem:525910 is 478252-64-1.
What is the molecular formula of RefChem:525910?
The molecular formula of RefChem:525910 is C24H19N7O4.
What is the molecular weight of RefChem:525910?
The molecular weight of RefChem:525910 is 469.15 g/mol.
Where can I buy RefChem:525910?
You can request a quote for RefChem:525910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:525910?
Yes, KEHONG BIO provides custom synthesis services for RefChem:525910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.