Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate (CAS 64039-40-3) is a chemical compound with molecular formula C9H15N3O4S2 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-phenylethyl) carbamimidothioate;sulfuric acid
Also Known As: USAF B-123, alpha-Phenyl aminoethyl-isothiouronium sulfate, 2-amino-2-phenylethyl carbamimidothioate sulfate(1:1), Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate, (2-amino-2-phenylethyl) carbamimidothioate; sulfuric acid
| Molecular Formula | C9H15N3O4S2 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.05038 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 64039-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CSC(=N)N)N.OS(=O)(=O)O |
| InChIKey | FEFSAKHQEMLLSJ-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate (CAS 64039-40-3), with molecular formula C9H15N3O4S2 and molecular weight 293.05 g/mol. IUPAC: (2-amino-2-phenylethyl) carbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate. The TPSA of 184.0 Ų indicates high polarity, suggesting Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate has 5 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-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate is 64039-40-3.
What is the molecular formula of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate is C9H15N3O4S2.
What is the molecular weight of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate is 293.05 g/mol.
Where can I buy Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-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-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-(alpha-phenyl)aminoethyl)-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.