2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate
TL;DR: 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate (CAS 146853-64-7) is a chemical compound with molecular formula C21H36N4OS2 and molecular weight 424.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] N-dodecylcarbamodithioate
Also Known As: SALOR-INT L497789-1EA, 2-(BIS(2-CYANOETHYL)AMINO)-2-OXOETHYL DODECYLDITHIOCARBAMATE, N,N-bis(2-cyanoethyl)-2-(dodecylthiocarbamoylsulfanyl)acetamide, [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] N-dodecylcarbamodithioate, N,N-bis(2-cyanoethyl)-2-[(dodecylamino)thioxomethylthio]acetamide
| Molecular Formula | C21H36N4OS2 |
|---|---|
| Molecular Weight | 424.23 g/mol |
| LogP | 5.17096 |
| Topological Polar Surface Area | 79.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 424.23306 |
| Heavy Atoms | 28 |
| Complexity | 481.6145 |
Chemical Identifiers
| CAS Number | 146853-64-7 |
|---|---|
| SMILES | CCCCCCCCCCCCNC(=S)SCC(=O)N(CCC#N)CCC#N |
Product Overview
2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate (CAS 146853-64-7), with molecular formula C21H36N4OS2 and molecular weight 424.23 g/mol. IUPAC: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] N-dodecylcarbamodithioate.
Chemical Property Profile of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate
Property Insights of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate
The XLogP value of 5.17096 indicates that 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate. Following Lipinski's Rule of Five, 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate?
The CAS number of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate is 146853-64-7.
What is the molecular formula of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate?
The molecular formula of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate is C21H36N4OS2.
What is the molecular weight of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate?
The molecular weight of 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate is 424.23 g/mol.
Where can I buy 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate?
You can request a quote for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(2-cyanoethyl)amino)-2-oxoethyl dodecyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.