2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione
TL;DR: 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione (CAS 50827-60-6) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate
Also Known As: (4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl methylcarbamate, 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione, (4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate, (4-Methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate, 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-((((METHYLAMINO)CARBONYL)OXY)METHYL)-
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 50827-60-6 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)COC(=O)NC |
| InChIKey | MLXGTWVSUCXNHG-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione (CAS 50827-60-6), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: (4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate.
Chemical Property Profile of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione
Property Insights of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione
The XLogP value of -0.1 indicates that 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione. Following Lipinski's Rule of Five, 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione has 1 hydrogen bond donor(s) and 4 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 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione is 50827-60-6.
What is the molecular formula of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione is C10H11NO4.
What is the molecular weight of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione is 209.07 g/mol.
Where can I buy 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-((((methylamino)carbonyl)oxy)methyl)-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.