![ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate structure](/static/products/2044/20446-94-0.webp)
ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate
TL;DR: ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate (CAS 20446-94-0) is a chemical compound with molecular formula C13H21N6O4PS2 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate
Also Known As: ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate, Ethyl 6-oxo-6-[(2-phenylhydrazine-1-carbothioyl)amino]-4-sulfanylidene-7-oxa-2,3,5-triaza-6lambda~5~-phosphanonan-1-oate
| Molecular Formula | C13H21N6O4PS2 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 1.7474 |
| Topological Polar Surface Area | 124.78 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.08032 |
| Heavy Atoms | 26 |
| Complexity | 663.2941 |
Chemical Identifiers
| CAS Number | 20446-94-0 |
|---|---|
| SMILES | CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC1=CC=CC=C1)OCC |
Product Overview
ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate (CAS 20446-94-0), with molecular formula C13H21N6O4PS2 and molecular weight 420.08 g/mol. IUPAC: ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate.
Chemical Property Profile of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate
Property Insights of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate
The XLogP value of 1.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate. The TPSA of 124.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate. Following Lipinski's Rule of Five, ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate?
The CAS number of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate is 20446-94-0.
What is the molecular formula of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate?
The molecular formula of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate is C13H21N6O4PS2.
What is the molecular weight of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate?
The molecular weight of ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate is 420.08 g/mol.
Where can I buy ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate?
You can request a quote for ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]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-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.