(5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate
TL;DR: (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate (CAS 50827-62-8) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate
Also Known As: (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate, (5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylc, 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHOXY-6-((((METHYLAMINO)CARBONYL)OXY)METHYL)-, (5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate, (5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 50827-62-8 |
|---|---|
| SMILES | CNC(=O)OCC1=CC(=O)C=C(C1=O)OC |
| InChIKey | DQMFQXYZUBWVFV-UHFFFAOYSA-N |
Product Overview
(5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate (CAS 50827-62-8), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: (5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate.
Chemical Property Profile of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate
Property Insights of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate
The XLogP value of -0.3 indicates that (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate. Following Lipinski's Rule of Five, (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate has 1 hydrogen bond donor(s) and 5 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 (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
The CAS number of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is 50827-62-8.
What is the molecular formula of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
The molecular formula of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is C10H11NO5.
What is the molecular weight of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
The molecular weight of (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is 225.06 g/mol.
Where can I buy (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
You can request a quote for (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.