(3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate
TL;DR: (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate (CAS 50827-59-3) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate
Also Known As: (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate, (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate, RefChem:207439
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 50827-59-3 |
|---|---|
| SMILES | CNC(=O)OCC1=CC(=O)C=CC1=O |
| InChIKey | UEXFGVWMTIXIAZ-UHFFFAOYSA-N |
Product Overview
(3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate (CAS 50827-59-3), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: (3,6-dioxocyclohexa-1,4-dien-1-yl)methyl N-methylcarbamate.
Chemical Property Profile of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate
Property Insights of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate
The XLogP value of -0.4 indicates that (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 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate. Following Lipinski's Rule of Five, (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate 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 (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
The CAS number of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is 50827-59-3.
What is the molecular formula of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
The molecular formula of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is C9H9NO4.
What is the molecular weight of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
The molecular weight of (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate is 195.05 g/mol.
Where can I buy (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
You can request a quote for (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 (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.