Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate (CAS 63680-06-8) is a chemical compound with molecular formula C9H14N4O6S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N'-(4-nitrophenyl)carbamimidothioate;sulfuric acid
Also Known As: Pseudourea, 2-thio-, 1-(p-nitrophenyl)-2-(2-aminoethyl)-, sulfate, 1-(p-Nitrophenyl)-2-(2-aminoethyl)isothiouronium sulfate, Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate, 2-aminoethyl n'-(4-nitrophenyl)carbamimidothioate sulfate(1:1), 2-aminoethyl N'-(4-nitrophenyl)carbamimidothioate,sulfuric acid
| Molecular Formula | C9H14N4O6S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 0.58 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.03546 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 63680-06-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C(N)SCCN)[N+](=O)[O-].OS(=O)(=O)O |
| InChIKey | FEBFADAXZUGEPB-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate (CAS 63680-06-8), with molecular formula C9H14N4O6S2 and molecular weight 338.04 g/mol. IUPAC: 2-aminoethyl N'-(4-nitrophenyl)carbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate
The XLogP value of 0.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate. The TPSA of 219.0 Ų indicates high polarity, suggesting Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate has 4 hydrogen bond donor(s) and 9 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-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate is 63680-06-8.
What is the molecular formula of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate is C9H14N4O6S2.
What is the molecular weight of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate is 338.04 g/mol.
Where can I buy Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-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-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.