1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate
TL;DR: 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate (CAS 62580-92-1) is a chemical compound with molecular formula C18H22N10O4S+2 and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylideneamino)-4-[[4-[(diaminomethylideneamino)azaniumylidynemethyl]phenyl]carbamoylamino]benzonitrilium;methanesulfonic acid
Also Known As: 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate, Urea, 1,3-bis(p-((guanidinoimino)methyl)phenyl)-, methanesulfonate, Hydrazinecarboximidamide, 2,2'-(carbonylbis(imino-4,1-phenylenemethylidyne))bis-, methanesulfonate, N-(diaminomethylideneamino)-4-[[4-[(diaminomethylideneamino)azaniumylidynemethyl]phenyl]carbamoylamino]benzonitrilium; methanesulfonic acid
| Molecular Formula | C18H22N10O4S+2 |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 0.5734 |
| Topological Polar Surface Area | 233.02 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.15463 |
| Heavy Atoms | 33 |
| Complexity | 1150.2793 |
Chemical Identifiers
| CAS Number | 62580-92-1 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC(=CC=C1C#[N+]N=C(N)N)NC(=O)NC2=CC=C(C=C2)C#[N+]N=C(N)N |
Product Overview
1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate (CAS 62580-92-1), with molecular formula C18H22N10O4S+2 and molecular weight 474.15 g/mol. IUPAC: N-(diaminomethylideneamino)-4-[[4-[(diaminomethylideneamino)azaniumylidynemethyl]phenyl]carbamoylamino]benzonitrilium;methanesulfonic acid.
Chemical Property Profile of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate
Property Insights of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate
The XLogP value of 0.5734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate. The TPSA of 233.02 Ų indicates high polarity, suggesting 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate has 7 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate?
The CAS number of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate is 62580-92-1.
What is the molecular formula of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate?
The molecular formula of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate is C18H22N10O4S+2.
What is the molecular weight of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate?
The molecular weight of 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate is 474.15 g/mol.
Where can I buy 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate?
You can request a quote for 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(p-((guanidinoimino)methyl)phenyl)urea methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.