Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)
TL;DR: Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) (CAS 13333-60-3) is a chemical compound with molecular formula C11H19N3O6S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;sulfuric acid
Also Known As: C11H17N3O2.1/2H2O4S, 2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;sulfuric acid, 1-(3,4-Dimethoxyphenethyl)guanidine sulfate (2:1), C11-H17-N3-O2.1/2H2-O4-S, GUANIDINE, 1-(3,4-DIMETHOXYPHENETHYL)-, SULFATE (2:1)
| Molecular Formula | C11H19N3O6S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | -0.1331 |
| Topological Polar Surface Area | 157.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.09946 |
| Heavy Atoms | 21 |
| Complexity | 561.32135 |
Chemical Identifiers
| CAS Number | 13333-60-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=C(N)N)OC.OS(=O)(=O)O |
Product Overview
Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) (CAS 13333-60-3), with molecular formula C11H19N3O6S and molecular weight 321.10 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;sulfuric acid.
Chemical Property Profile of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)
Property Insights of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)
The XLogP value of -0.1331 indicates that Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.46 Ų indicates high polarity, suggesting Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) has 4 hydrogen bond donor(s) and 5 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 Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)?
The CAS number of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) is 13333-60-3.
What is the molecular formula of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)?
The molecular formula of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) is C11H19N3O6S.
What is the molecular weight of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)?
The molecular weight of Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) is 321.10 g/mol.
Where can I buy Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)?
You can request a quote for Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-(3,4-dimethoxyphenethyl)-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.