Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride
TL;DR: Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride (CAS 56947-94-5) is a chemical compound with molecular formula C15H16Cl2N6O5S and molecular weight 462.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]-3-(diaminomethylidene)urea;hydrochloride
Also Known As: Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride, N-(Aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)urea HCl, 1-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]-3-(diaminomethylidene)urea hydrochloride, N-{4-[4-(Chloromethanesulfonyl)-2-nitroanilino]phenyl}-N'-(diaminomethylidene)urea--hydrogen chloride (1/1), RefChem:388096
| Molecular Formula | C15H16Cl2N6O5S |
|---|---|
| Molecular Weight | 462.03 g/mol |
| LogP | 2.5355 |
| Topological Polar Surface Area | 182.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.02798 |
| Heavy Atoms | 29 |
| Complexity | 1039.6626 |
Chemical Identifiers
| CAS Number | 56947-94-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])NC(=O)N=C(N)N.Cl |
Product Overview
Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride (CAS 56947-94-5), with molecular formula C15H16Cl2N6O5S and molecular weight 462.03 g/mol. IUPAC: 1-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]-3-(diaminomethylidene)urea;hydrochloride.
Chemical Property Profile of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride
Property Insights of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride
The XLogP value of 2.5355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride. The TPSA of 182.81 Ų indicates high polarity, suggesting Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride has 4 hydrogen bond donor(s) and 6 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 Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride?
The CAS number of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride is 56947-94-5.
What is the molecular formula of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride?
The molecular formula of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride is C15H16Cl2N6O5S.
What is the molecular weight of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride?
The molecular weight of Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride is 462.03 g/mol.
Where can I buy Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride?
You can request a quote for Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(aminoiminomethyl)-N'-(4-((4-((chloromethyl)sulfonyl)-2-nitrophenyl)amino)phenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.