1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride
TL;DR: 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride (CAS 53389-99-4) is a chemical compound with molecular formula C10H24Cl2N8O2S2 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate;dihydrochloride
Also Known As: USAF PD-34, KST-1A5460, 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride, Pseudourea, 2,2'-ethylenebis((2-(ureylene)ethyl)thio)di-, dihydrochloride, Carbamimidothioic acid, 1,2-ethanediylbis(iminocarbonylimino-2,1-ethanediyl) ester, dihydrochloride
| Molecular Formula | C10H24Cl2N8O2S2 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | -0.31826 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.08408 |
| Heavy Atoms | 24 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 53389-99-4 |
|---|---|
| SMILES | C(CNC(=O)NCCSC(=N)N)NC(=O)NCCSC(=N)N.Cl.Cl |
| InChIKey | OBHHIECOBQVIES-UHFFFAOYSA-N |
Product Overview
1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride (CAS 53389-99-4), with molecular formula C10H24Cl2N8O2S2 and molecular weight 422.08 g/mol. IUPAC: 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate;dihydrochloride.
Chemical Property Profile of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride
Property Insights of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride
The XLogP value of -0.31826 indicates that 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride has 10 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride?
The CAS number of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride is 53389-99-4.
What is the molecular formula of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride?
The molecular formula of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride is C10H24Cl2N8O2S2.
What is the molecular weight of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride?
The molecular weight of 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride is 422.08 g/mol.
Where can I buy 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride?
You can request a quote for 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.