Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate (CAS 63679-76-5) is a chemical compound with molecular formula C7H19N3O4S2 and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N'-butylcarbamimidothioate;sulfuric acid
Also Known As: N-Butyl-2-aminoethylisothiouronium sulfate, Pseudourea, 2-thio-, n-butyl-2-aminoethyl-, sulfate, Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate, 2-aminoethyl n'-butylcarbamimidothioate sulfate(1:1), 2-aminoethyl N'-butylcarbamimidothioate,sulfuric acid
| Molecular Formula | C7H19N3O4S2 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 0.14 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.0817 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 63679-76-5 |
|---|---|
| SMILES | CCCCN=C(N)SCCN.OS(=O)(=O)O |
| InChIKey | UUGWWNGULOOBQN-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate (CAS 63679-76-5), with molecular formula C7H19N3O4S2 and molecular weight 273.08 g/mol. IUPAC: 2-aminoethyl N'-butylcarbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate
The XLogP value of 0.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate. The TPSA of 173.0 Ų indicates high polarity, suggesting Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate is 63679-76-5.
What is the molecular formula of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate is C7H19N3O4S2.
What is the molecular weight of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate is 273.08 g/mol.
Where can I buy Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(aminoethyl)-N-butyl-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.