Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate (CAS 63679-67-4) is a chemical compound with molecular formula C11H19N3O4S2 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminobutyl N'-phenylcarbamimidothioate;sulfuric acid
Also Known As: USAF B-116, 1-Phenyl-2-aminobutylisothiouronium sulfate, 4-aminobutyl n'-phenylcarbamimidothioate sulfate(1:1), Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate, Pseudourea, 2-thio-, 1-phenyl-2-aminobutyl-, sulfate
| Molecular Formula | C11H19N3O4S2 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 1.45 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0817 |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 63679-67-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(N)SCCCCN.OS(=O)(=O)O |
| InChIKey | FCCAOAHPXZBSCJ-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate (CAS 63679-67-4), with molecular formula C11H19N3O4S2 and molecular weight 321.08 g/mol. IUPAC: 4-aminobutyl N'-phenylcarbamimidothioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate
The XLogP value of 1.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate. The TPSA of 173.0 Ų indicates high polarity, suggesting Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-aminobutyl-1-phenyl-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-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate is 63679-67-4.
What is the molecular formula of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate is C11H19N3O4S2.
What is the molecular weight of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate is 321.08 g/mol.
Where can I buy Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 2-aminobutyl-1-phenyl-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-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.