Guanidine, (3-methylphenyl)-, sulfate
TL;DR: Guanidine, (3-methylphenyl)-, sulfate (CAS 61747-02-2) is a chemical compound with molecular formula C8H13N3O4S and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)guanidine;sulfuric acid
Also Known As: Guanidine, (3-methylphenyl)-, sulfate, 2-(3-methylphenyl)guanidine,sulfuric acid, 2-(3-methylphenyl)guanidine sulfate(1:1), 2-(3-methylphenyl)guanidine; sulfuric acid, Sulfuric acid--N''-(3-methylphenyl)guanidine (1/1)
| Molecular Formula | C8H13N3O4S |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 0.24712 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.06268 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 61747-02-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N=C(N)N.OS(=O)(=O)O |
| InChIKey | FEROOFQUPKKJAT-UHFFFAOYSA-N |
Product Overview
Guanidine, (3-methylphenyl)-, sulfate (CAS 61747-02-2), with molecular formula C8H13N3O4S and molecular weight 247.06 g/mol. IUPAC: 2-(3-methylphenyl)guanidine;sulfuric acid.
Chemical Property Profile of Guanidine, (3-methylphenyl)-, sulfate
Property Insights of Guanidine, (3-methylphenyl)-, sulfate
The XLogP value of 0.24712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, (3-methylphenyl)-, sulfate. The TPSA of 147.0 Ų indicates high polarity, suggesting Guanidine, (3-methylphenyl)-, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, (3-methylphenyl)-, sulfate 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, (3-methylphenyl)-, sulfate?
The CAS number of Guanidine, (3-methylphenyl)-, sulfate is 61747-02-2.
What is the molecular formula of Guanidine, (3-methylphenyl)-, sulfate?
The molecular formula of Guanidine, (3-methylphenyl)-, sulfate is C8H13N3O4S.
What is the molecular weight of Guanidine, (3-methylphenyl)-, sulfate?
The molecular weight of Guanidine, (3-methylphenyl)-, sulfate is 247.06 g/mol.
Where can I buy Guanidine, (3-methylphenyl)-, sulfate?
You can request a quote for Guanidine, (3-methylphenyl)-, sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, (3-methylphenyl)-, sulfate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, (3-methylphenyl)-, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.