![ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate structure](/static/products/2044/20446-95-1.webp)
ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
TL;DR: ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate (CAS 20446-95-1) is a chemical compound with molecular formula C12H24N9O7PS3 and molecular weight 533.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
Also Known As: ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate, ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phospho, Carbazic acid, 3,3',3''-[phosphinylidynetris[imino(thiocarbonyl)]]tri-, triethyl ester, 2,3,5,7,9,10-Hexaaza-6-phosphaundecanedioic acid, 6-[[[2-(ethoxycarbonyl)hydrazino]thioxomethyl]amino]-4,8-dithioxo-, diethyl ester, 6-oxide, Diethyl 6-{[2-(ethoxycarbonyl)hydrazine-1-carbothioyl]amino}-6-oxo-4,8-bis(sulfanylidene)-2,3,5,7,9,10-hexaaza-6lambda~5~-phosphaundecane-1,11-dioate
| Molecular Formula | C12H24N9O7PS3 |
|---|---|
| Molecular Weight | 533.07 g/mol |
| LogP | -0.5299 |
| Topological Polar Surface Area | 204.24 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.0698 |
| Heavy Atoms | 32 |
| Complexity | 662.49695 |
Chemical Identifiers
| CAS Number | 20446-95-1 |
|---|---|
| SMILES | CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC(=O)OCC)NC(=S)NNC(=O)OCC |
Product Overview
ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate (CAS 20446-95-1), with molecular formula C12H24N9O7PS3 and molecular weight 533.07 g/mol. IUPAC: ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate.
Chemical Property Profile of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
Property Insights of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
The XLogP value of -0.5299 indicates that ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.24 Ų indicates high polarity, suggesting ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate has 9 hydrogen bond donor(s) and 10 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-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate?
The CAS number of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate is 20446-95-1.
What is the molecular formula of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate?
The molecular formula of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate is C12H24N9O7PS3.
What is the molecular weight of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate?
The molecular weight of ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate is 533.07 g/mol.
Where can I buy ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate?
You can request a quote for ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]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-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.