hexadecyl N,N'-diethylcarbamimidothioate
TL;DR: hexadecyl N,N'-diethylcarbamimidothioate (CAS 5428-28-4) is a chemical compound with molecular formula C21H44N2S and molecular weight 356.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl N,N'-diethylcarbamimidothioate
Also Known As: hexadecyl n,n'-diethylcarbamimidothioate
| Molecular Formula | C21H44N2S |
|---|---|
| Molecular Weight | 356.32 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 356.3225 |
| Heavy Atoms | 24 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5428-28-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC(=NCC)NCC |
| InChIKey | XGIDGJASGYIQDR-UHFFFAOYSA-N |
Product Overview
hexadecyl N,N'-diethylcarbamimidothioate (CAS 5428-28-4), with molecular formula C21H44N2S and molecular weight 356.32 g/mol. IUPAC: hexadecyl N,N'-diethylcarbamimidothioate.
Chemical Property Profile of hexadecyl N,N'-diethylcarbamimidothioate
Property Insights of hexadecyl N,N'-diethylcarbamimidothioate
The XLogP value of 9.1 indicates that hexadecyl N,N'-diethylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, hexadecyl N,N'-diethylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hexadecyl N,N'-diethylcarbamimidothioate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of hexadecyl N,N'-diethylcarbamimidothioate?
The CAS number of hexadecyl N,N'-diethylcarbamimidothioate is 5428-28-4.
What is the molecular formula of hexadecyl N,N'-diethylcarbamimidothioate?
The molecular formula of hexadecyl N,N'-diethylcarbamimidothioate is C21H44N2S.
What is the molecular weight of hexadecyl N,N'-diethylcarbamimidothioate?
The molecular weight of hexadecyl N,N'-diethylcarbamimidothioate is 356.32 g/mol.
Where can I buy hexadecyl N,N'-diethylcarbamimidothioate?
You can request a quote for hexadecyl N,N'-diethylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hexadecyl N,N'-diethylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for hexadecyl N,N'-diethylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.