oxyluciferin
TL;DR: oxyluciferin (CAS 54028-46-5) is a chemical compound with molecular formula C25H21N3O9S2 and molecular weight 571.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[6-benzyl-5-[[2-(4-sulfooxyphenyl)acetyl]amino]pyrazin-2-yl]phenyl] hydrogen sulfate
Also Known As: oxyluciferin, Oxidized Watasenia luciferin, Coelenteramide disulfate, Oxyluciferin(Watasenia), Coelentetramide disulfate
| Molecular Formula | C25H21N3O9S2 |
|---|---|
| Molecular Weight | 571.07 g/mol |
| LogP | 3.2788 |
| Topological Polar Surface Area | 182.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 571.0719 |
| Heavy Atoms | 39 |
| Complexity | 1677.5204 |
Chemical Identifiers
| CAS Number | 54028-46-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=CN=C2NC(=O)CC3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O |
Product Overview
oxyluciferin (CAS 54028-46-5), with molecular formula C25H21N3O9S2 and molecular weight 571.07 g/mol. IUPAC: [4-[6-benzyl-5-[[2-(4-sulfooxyphenyl)acetyl]amino]pyrazin-2-yl]phenyl] hydrogen sulfate.
Chemical Property Profile of oxyluciferin
Property Insights of oxyluciferin
The XLogP value of 3.2788 indicates that oxyluciferin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.08 Ų indicates high polarity, suggesting oxyluciferin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, oxyluciferin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of oxyluciferin?
The CAS number of oxyluciferin is 54028-46-5.
What is the molecular formula of oxyluciferin?
The molecular formula of oxyluciferin is C25H21N3O9S2.
What is the molecular weight of oxyluciferin?
The molecular weight of oxyluciferin is 571.07 g/mol.
Where can I buy oxyluciferin?
You can request a quote for oxyluciferin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for oxyluciferin?
Yes, KEHONG BIO provides custom synthesis services for oxyluciferin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.