Neoxaline
TL;DR: Neoxaline (CAS 909900-78-3) is a chemical compound with molecular formula C23H25N5O4 and molecular weight 435.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione
Also Known As: Neoxaline, (14E)-11-hydroxy-14-(1H-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0(1),(1)(3).0(3),?]hexadeca-3,5,7-triene-12,15-dione
| Molecular Formula | C23H25N5O4 |
|---|---|
| Molecular Weight | 435.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.19064 |
| Heavy Atoms | 32 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 909900-78-3 |
|---|---|
| SMILES | CC(C)(C=C)C12CC(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)O |
| InChIKey | HHLNXXASUKFCCX-UHFFFAOYSA-N |
Product Overview
Neoxaline (CAS 909900-78-3), with molecular formula C23H25N5O4 and molecular weight 435.19 g/mol. IUPAC: 11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione.
Chemical Property Profile of Neoxaline
Property Insights of Neoxaline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoxaline. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neoxaline. Following Lipinski's Rule of Five, Neoxaline has 3 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 Neoxaline?
The CAS number of Neoxaline is 909900-78-3.
What is the molecular formula of Neoxaline?
The molecular formula of Neoxaline is C23H25N5O4.
What is the molecular weight of Neoxaline?
The molecular weight of Neoxaline is 435.19 g/mol.
Where can I buy Neoxaline?
You can request a quote for Neoxaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoxaline?
Yes, KEHONG BIO provides custom synthesis services for Neoxaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.