Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate
TL;DR: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate (CAS 111910-09-9) is a chemical compound with molecular formula C20H25ClN4O6S and molecular weight 484.11835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acetic acid;[3-chloro-4-(diethylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate
Also Known As: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate, Acetic Acid; [3-chloro-4-(diethylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate, Acetic acid--3-chloro-4-(diethylsulfamoyl)phenyl 4-[(diaminomethylidene)amino]benzoate (1/1)
Technical Specifications
| Molecular Formula | C20H25ClN4O6S |
| Molecular Weight | 484.11835 g/mol |
| XLogP | 2.5855 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.11835 Da |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
| SMILES | CCN(CC)S(=O)(=O)C1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)Cl.CC(=O)O |
| InChIKey | NLQKWPVQNPKPNT-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate
Property Insights of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate
The XLogP value of 2.5855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate. The TPSA of 174.0 Ų indicates high polarity, suggesting Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate?
The CAS number of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate is 111910-09-9.
What is the molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate?
The molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate is C20H25ClN4O6S.
What is the molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate?
The molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate is 484.11835 g/mol.
Where can I buy Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate?
You can request a quote for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-4-((diethylamino)sulfonyl)phenyl ester, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.