4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride
TL;DR: 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride (CAS 79119-34-9) is a chemical compound with molecular formula C14H15ClN4O4S and molecular weight 370.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminosulfonyl)phenyl ester, monoydrochloride, (4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride, 4-Sulfamoylphenyl 4-[(diaminomethylidene)amino]benzoate--hydrogen chloride (1/1), RefChem:327348
| Molecular Formula | C14H15ClN4O4S |
|---|---|
| Molecular Weight | 370.05 g/mol |
| LogP | 0.8799 |
| Topological Polar Surface Area | 150.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.05026 |
| Heavy Atoms | 24 |
| Complexity | 845.3481 |
Chemical Identifiers
| CAS Number | 79119-34-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S(=O)(=O)N)N=C(N)N.Cl |
Product Overview
4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride (CAS 79119-34-9), with molecular formula C14H15ClN4O4S and molecular weight 370.05 g/mol. IUPAC: (4-sulfamoylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride
Property Insights of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride
The XLogP value of 0.8799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride. The TPSA of 150.86 Ų indicates high polarity, suggesting 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride has 3 hydrogen bond donor(s) and 5 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 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride?
The CAS number of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride is 79119-34-9.
What is the molecular formula of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride?
The molecular formula of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride is C14H15ClN4O4S.
What is the molecular weight of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride?
The molecular weight of 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride is 370.05 g/mol.
Where can I buy 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride?
You can request a quote for 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminosulfonyl)phenyl 4-((aminoiminomethyl)amino)benzoate monoydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.