Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate
TL;DR: Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate (CAS 63679-92-5) is a chemical compound with molecular formula C9H21N3O5S2 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-carbamimidoyl 2-(2-aminoethyl)hexanethioate;sulfuric acid
Also Known As: USAF B-106, Hexanoyl-2-(2-aminoethyl)-isothiouronium sulfate, 2-(2-aminoethyl)hexanoyl carbamimidothioate sulfate(1:1), Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate, 4H-1-Benzopyran-4-one,2,3-dihydro-2,2,6-trimethyl
| Molecular Formula | C9H21N3O5S2 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.09225 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 63679-92-5 |
|---|---|
| SMILES | CCCCC(CCN)C(=O)SC(=N)N.OS(=O)(=O)O |
| InChIKey | ZAZMRSBQBBXDKE-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate (CAS 63679-92-5), with molecular formula C9H21N3O5S2 and molecular weight 315.09 g/mol. IUPAC: S-carbamimidoyl 2-(2-aminoethyl)hexanethioate;sulfuric acid.
Chemical Property Profile of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate
Property Insights of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate. The TPSA of 201.0 Ų indicates high polarity, suggesting Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate has 5 hydrogen bond donor(s) and 8 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)-N-hexanoyl-2-thio-, hydrogen sulfate?
The CAS number of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate is 63679-92-5.
What is the molecular formula of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate?
The molecular formula of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate is C9H21N3O5S2.
What is the molecular weight of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate?
The molecular weight of Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate is 315.09 g/mol.
Where can I buy Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate?
You can request a quote for Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-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)-N-hexanoyl-2-thio-, hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(2-aminoethyl)-N-hexanoyl-2-thio-, hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.