p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride
TL;DR: p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride (CAS 5254-36-4) is a chemical compound with molecular formula C13H23ClN6O2S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-2-[[4-(diethylsulfamoyl)phenyl]methyl]guanidine;hydrochloride
Also Known As: p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride, alpha-(3-Amidinoguanidino)-N,N-diethyl-p-toluenesulfonamide monohydrochloride, 1-(diaminomethylidene)-2-[[4-(diethylsulfamoyl)phenyl]methyl]guanidine hydrochloride, 4-{[(E)-{Amino[(diaminomethylidene)amino]methylidene}amino]methyl}-N,N-diethylbenzene-1-sulfonamide--hydrogen chloride (1/1), RefChem:367765
| Molecular Formula | C13H23ClN6O2S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 0.227 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.12918 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 5254-36-4 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CN=C(N)N=C(N)N.Cl |
| InChIKey | XUZVUCDEVQNVSY-UHFFFAOYSA-N |
Product Overview
p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride (CAS 5254-36-4), with molecular formula C13H23ClN6O2S and molecular weight 362.13 g/mol. IUPAC: 1-(diaminomethylidene)-2-[[4-(diethylsulfamoyl)phenyl]methyl]guanidine;hydrochloride.
Chemical Property Profile of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride
Property Insights of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride
The XLogP value of 0.227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride. The TPSA of 149.0 Ų indicates high polarity, suggesting p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride has 4 hydrogen bond donor(s) and 4 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 p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride?
The CAS number of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride is 5254-36-4.
What is the molecular formula of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride?
The molecular formula of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride is C13H23ClN6O2S.
What is the molecular weight of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride?
The molecular weight of p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride is 362.13 g/mol.
Where can I buy p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride?
You can request a quote for p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonamide, alpha-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.