Wybutoxine
TL;DR: Wybutoxine (CAS 4097-27-2) is a chemical compound with molecular formula C16H20N6O7 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroperoxy-2-(methoxycarbonylamino)butanoate
Also Known As: Wybutoxine, Peroxy-Y-base, Peroxywybutine, HO2-Y-imGua, methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroperoxy-2-(methoxycarbonylamino)butanoate
| Molecular Formula | C16H20N6O7 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.13934 |
| Heavy Atoms | 29 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 4097-27-2 |
|---|---|
| SMILES | CC1=C(N2C(=O)C3=C(N=CN3)N(C2=N1)C)CC(C(C(=O)OC)NC(=O)OC)OO |
| InChIKey | FRYWGCQTDZARGT-UHFFFAOYSA-N |
Product Overview
Wybutoxine (CAS 4097-27-2), with molecular formula C16H20N6O7 and molecular weight 408.14 g/mol. IUPAC: methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroperoxy-2-(methoxycarbonylamino)butanoate.
Chemical Property Profile of Wybutoxine
Property Insights of Wybutoxine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Wybutoxine. The TPSA of 161.0 Ų indicates high polarity, suggesting Wybutoxine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Wybutoxine has 3 hydrogen bond donor(s) and 10 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 Wybutoxine?
The CAS number of Wybutoxine is 4097-27-2.
What is the molecular formula of Wybutoxine?
The molecular formula of Wybutoxine is C16H20N6O7.
What is the molecular weight of Wybutoxine?
The molecular weight of Wybutoxine is 408.14 g/mol.
Where can I buy Wybutoxine?
You can request a quote for Wybutoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wybutoxine?
Yes, KEHONG BIO provides custom synthesis services for Wybutoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.