Migrenin
TL;DR: Migrenin (CAS 85118-06-5) is a chemical compound with molecular formula C25H27N6O10-3 and molecular weight 571.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxypropane-1,2,3-tricarboxylate;1,3,7-trimethylpurine-2,6-dione
Also Known As: Migrenin, Migrenine, Migrenin [JAN], KST-1B8890, 1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3,7-trimethylpurine-2,6-dione; citrate
| Molecular Formula | C25H27N6O10-3 |
|---|---|
| Molecular Weight | 571.18 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 571.1789 |
| Heavy Atoms | 41 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 85118-06-5 |
|---|---|
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O |
| InChIKey | XCRAFTGAMMSJLO-UHFFFAOYSA-K |
Product Overview
Migrenin (CAS 85118-06-5), with molecular formula C25H27N6O10-3 and molecular weight 571.18 g/mol. IUPAC: 1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxypropane-1,2,3-tricarboxylate;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Migrenin
Property Insights of Migrenin
The XLogP value of -4.8 indicates that Migrenin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting Migrenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Migrenin has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Migrenin?
The CAS number of Migrenin is 85118-06-5.
What is the molecular formula of Migrenin?
The molecular formula of Migrenin is C25H27N6O10-3.
What is the molecular weight of Migrenin?
The molecular weight of Migrenin is 571.18 g/mol.
Where can I buy Migrenin?
You can request a quote for Migrenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Migrenin?
Yes, KEHONG BIO provides custom synthesis services for Migrenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.