Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate
TL;DR: Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate (CAS 63680-01-3) is a chemical compound with molecular formula C15H21N3O4S2 and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl N-ethyl-N-naphthalen-1-ylcarbamimidothioate;sulfuric acid
Also Known As: USAF B-81, Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate, Ammonium, (amino(2-aminoethylthio)methylene)ethylnaphthyl-, sulfate, Pseudourea, 2-thio-, 1-ethyl-1-(alpha-naphthyl)-2-(2-aminoethyl)-, sulfate, 1-Ethyl-1-(alpha-naphthyl)-2-(2-aminoethyl)isothiouronium sulfate
| Molecular Formula | C15H21N3O4S2 |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 2.64 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.09735 |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 63680-01-3 |
|---|---|
| SMILES | CCN(C1=CC=CC2=CC=CC=C21)C(=N)SCCN.OS(=O)(=O)O |
| InChIKey | GIJUGVMOCZIPFH-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate (CAS 63680-01-3), with molecular formula C15H21N3O4S2 and molecular weight 371.10 g/mol. IUPAC: 2-aminoethyl N-ethyl-N-naphthalen-1-ylcarbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate
Property Insights of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate
The XLogP value of 2.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate. The TPSA of 161.0 Ų indicates high polarity, suggesting Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate 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-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate?
The CAS number of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate is 63680-01-3.
What is the molecular formula of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate?
The molecular formula of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate is C15H21N3O4S2.
What is the molecular weight of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate?
The molecular weight of Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate is 371.10 g/mol.
Where can I buy Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate?
You can request a quote for Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate 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-naphthyl-2-thio-, ethylsulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-aminoethyl)-1-naphthyl-2-thio-, ethylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.