4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
TL;DR: 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride (CAS 79119-51-0) is a chemical compound with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-acetylphenyl ester, monohydrochloride, (4-acetylphenyl) 4-(diaminomethylideneamino)benzoate hydrochloride, 4-Acetylphenyl 4-[(diaminomethylidene)amino]benzoate--hydrogen chloride (1/1), RefChem:327350
| Molecular Formula | C16H16ClN3O3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 2.4351 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.088 |
| Heavy Atoms | 23 |
| Complexity | 721.2406 |
Chemical Identifiers
| CAS Number | 79119-51-0 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.Cl |
Product Overview
4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride (CAS 79119-51-0), with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol. IUPAC: (4-acetylphenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
Property Insights of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
The XLogP value of 2.4351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride. Following Lipinski's Rule of Five, 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride has 2 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 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
The CAS number of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride is 79119-51-0.
What is the molecular formula of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
The molecular formula of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride is C16H16ClN3O3.
What is the molecular weight of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
The molecular weight of 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride is 333.09 g/mol.
Where can I buy 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
You can request a quote for 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.