Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate
TL;DR: Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate (CAS 115174-18-0) is a chemical compound with molecular formula C16H28N4O4S and molecular weight 372.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(azocan-1-ylmethyl)phenyl]methyl]guanidine;sulfuric acid
Also Known As: m-Heptamethyleniminomethylbenzylguanidine sulfate, Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate, (3-(Hexahydro-1(2H)-azocinylmethyl)benzyl)guanidine sulfate, 2-[[3-(azocan-1-ylmethyl)phenyl]methyl]guanidine;sulfuric acid, 2-[[3-(azocan-1-ylmethyl)phenyl]methyl]guanidine,sulfuric acid
| Molecular Formula | C16H28N4O4S |
|---|---|
| Molecular Weight | 372.18 g/mol |
| LogP | 1.5733 |
| Topological Polar Surface Area | 142.24 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.18314 |
| Heavy Atoms | 25 |
| Complexity | 629.28973 |
Chemical Identifiers
| CAS Number | 115174-18-0 |
|---|---|
| SMILES | C1CCCN(CCC1)CC2=CC=CC(=C2)CN=C(N)N.OS(=O)(=O)O |
Product Overview
Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate (CAS 115174-18-0), with molecular formula C16H28N4O4S and molecular weight 372.18 g/mol. IUPAC: 2-[[3-(azocan-1-ylmethyl)phenyl]methyl]guanidine;sulfuric acid.
Chemical Property Profile of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate
Property Insights of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate
The XLogP value of 1.5733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate. The TPSA of 142.24 Ų indicates high polarity, suggesting Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate 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 Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate?
The CAS number of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate is 115174-18-0.
What is the molecular formula of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate?
The molecular formula of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate is C16H28N4O4S.
What is the molecular weight of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate?
The molecular weight of Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate is 372.18 g/mol.
Where can I buy Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate?
You can request a quote for Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, 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-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, (3-(hexahydro-1(2H)-azocinylmethyl)benzyl)-, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.