ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
TL;DR: ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate (CAS 292825-08-2) is a chemical compound with molecular formula C14H18N4O4S2 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
Also Known As: AE-848/32735019, diethyl {1,3-phenylenebis[imino(thioxomethylene)]}biscarbamate, ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate, ethyl [3-({[(ethoxycarbonyl)amino]carbothioyl}amino)anilino]carbothioylcarbamate
| Molecular Formula | C14H18N4O4S2 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 2.5724 |
| Topological Polar Surface Area | 100.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.07693 |
| Heavy Atoms | 24 |
| Complexity | 575.29694 |
Chemical Identifiers
| CAS Number | 292825-08-2 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=CC(=CC=C1)NC(=S)NC(=O)OCC |
Product Overview
ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate (CAS 292825-08-2), with molecular formula C14H18N4O4S2 and molecular weight 370.08 g/mol. IUPAC: ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate.
Chemical Property Profile of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
Property Insights of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
The XLogP value of 2.5724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate. The TPSA of 100.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate has 4 hydrogen bond donor(s) and 6 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 ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?
The CAS number of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is 292825-08-2.
What is the molecular formula of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?
The molecular formula of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is C14H18N4O4S2.
What is the molecular weight of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?
The molecular weight of ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is 370.08 g/mol.
Where can I buy ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?
You can request a quote for ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.