Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester
TL;DR: Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester (CAS 79125-85-2) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanylphenyl) 4-(diaminomethylideneamino)benzoate
Also Known As: 4-(Methylthio)phenyl 4-((aminoiminomethyl)amino)benzoate, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester, (4-methylsulfanylphenyl) 4-(diaminomethylideneamino)benzoate, 4-(Methylsulfanyl)phenyl 4-[(diaminomethylidene)amino]benzoate, RefChem:327349
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.5326 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 647.6239 |
Chemical Identifiers
| CAS Number | 79125-85-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N |
Product Overview
Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester (CAS 79125-85-2), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: (4-methylsulfanylphenyl) 4-(diaminomethylideneamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester
Property Insights of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester
The XLogP value of 2.5326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester 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 Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester?
The CAS number of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester is 79125-85-2.
What is the molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester?
The molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester is C15H15N3O2S.
What is the molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester?
The molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester is 301.09 g/mol.
Where can I buy Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester?
You can request a quote for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(methylthio)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.