MERALLURIDE
TL;DR: MERALLURIDE (CAS 113-50-8) is a chemical compound with molecular formula C16H22HgN6O7 and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury(1+);1,3-dimethyl-2-oxopurin-6-olate
Also Known As: MERALLURIDE, [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury(1+);1,3-dimethyl-2-oxopurin-6-olate, 3-[3-(3-Carboxypropionyl)ureido]-2-methoxypropyl(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-, 1,3-dimethyl-2-oxopurin-6-olate; [3-[(4-hydroxy-4-oxobutanoyl)carbamoylamino]-2-methoxypropyl]mercury(1+)
| Molecular Formula | C16H22HgN6O7 |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | -1.6507 |
| Topological Polar Surface Area | 180.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 612.1257 |
| Heavy Atoms | 30 |
| Complexity | 908.10876 |
Chemical Identifiers
| CAS Number | 113-50-8 |
|---|---|
| SMILES | CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg+] |
Product Overview
MERALLURIDE (CAS 113-50-8), with molecular formula C16H22HgN6O7 and molecular weight 612.13 g/mol. IUPAC: [3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury(1+);1,3-dimethyl-2-oxopurin-6-olate.
Chemical Property Profile of MERALLURIDE
Property Insights of MERALLURIDE
The XLogP value of -1.6507 indicates that MERALLURIDE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.5 Ų indicates high polarity, suggesting MERALLURIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MERALLURIDE has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MERALLURIDE?
The CAS number of MERALLURIDE is 113-50-8.
What is the molecular formula of MERALLURIDE?
The molecular formula of MERALLURIDE is C16H22HgN6O7.
What is the molecular weight of MERALLURIDE?
The molecular weight of MERALLURIDE is 612.13 g/mol.
Where can I buy MERALLURIDE?
You can request a quote for MERALLURIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MERALLURIDE?
Yes, KEHONG BIO provides custom synthesis services for MERALLURIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.