RefChem:504465
TL;DR: RefChem:504465 (CAS 478252-80-1) is a chemical compound with molecular formula C25H21N7O4 and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: 3-NITROBENZALDEHYDE [1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE, 3-NITROBENZALDEHYDE (1,3-DIMETHYL-7-(1-NAPHTHYLMETHYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE, 631-657-7, RefChem:504465
| Molecular Formula | C25H21N7O4 |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 2.9894 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.1655 |
| Heavy Atoms | 36 |
| Complexity | 1791.3629 |
Chemical Identifiers
| CAS Number | 478252-80-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54 |
Product Overview
RefChem:504465 (CAS 478252-80-1), with molecular formula C25H21N7O4 and molecular weight 483.17 g/mol. IUPAC: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:504465
Property Insights of RefChem:504465
The XLogP value of 2.9894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:504465. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:504465. Following Lipinski's Rule of Five, RefChem:504465 has 1 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:504465?
The CAS number of RefChem:504465 is 478252-80-1.
What is the molecular formula of RefChem:504465?
The molecular formula of RefChem:504465 is C25H21N7O4.
What is the molecular weight of RefChem:504465?
The molecular weight of RefChem:504465 is 483.17 g/mol.
Where can I buy RefChem:504465?
You can request a quote for RefChem:504465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:504465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:504465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.