Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride
TL;DR: Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride (CAS 56947-95-6) 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-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitrophenoxy]phenyl]guanidine;hydrochloride
Also Known As: Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride, N-(4-(4-((Chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)imidodicarbonimidic diamide HCl, 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitrophenoxy]phenyl]guanidine hydrochloride, N-{4-[4-(Chloromethanesulfonyl)-2-nitrophenoxy]phenyl}triimidodicarbonic diamide--hydrogen chloride (1/1), RefChem:349003
| Molecular Formula | C15H16Cl2N6O5S |
|---|---|
| Molecular Weight | 462.03 g/mol |
| LogP | 2.37224 |
| Topological Polar Surface Area | 189.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.02798 |
| Heavy Atoms | 29 |
| Complexity | 1031.6626 |
Chemical Identifiers
| CAS Number | 56947-95-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N(C(=N)N)C(=N)N)OC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-].Cl |
Product Overview
Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride (CAS 56947-95-6), with molecular formula C15H16Cl2N6O5S and molecular weight 462.03 g/mol. IUPAC: 1-carbamimidoyl-1-[4-[4-(chloromethylsulfonyl)-2-nitrophenoxy]phenyl]guanidine;hydrochloride.
Chemical Property Profile of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride
Property Insights of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride
The XLogP value of 2.37224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride. The TPSA of 189.49 Ų indicates high polarity, suggesting Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride has 4 hydrogen bond donor(s) and 7 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 Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride?
The CAS number of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride is 56947-95-6.
What is the molecular formula of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride?
The molecular formula of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride is C15H16Cl2N6O5S.
What is the molecular weight of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride?
The molecular weight of Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride is 462.03 g/mol.
Where can I buy Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride?
You can request a quote for Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Imidodicarbonimidic diamide, N-(4-(4-((chloromethyl)sulfonyl)-2-nitrophenoxy)phenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.