Phenithionate
TL;DR: Phenithionate (CAS 83538-74-3) is a chemical compound with molecular formula C19H15N3O3S and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-nitroanilino)-2-phenylphenyl]carbamothioic S-acid
Also Known As: Phenithionate, Phenyl-4-nitrodiphenylamine-4'-thiocarbamate, [4-(4-nitroanilino)-2-phenylphenyl]carbamothioic S-acid, Carbamothioic acid, (4-((4-nitrophenyl)amino)phenyl)-, O-phenyl ester, [5-(4-Nitroanilino)[1,1'-biphenyl]-2-yl]carbamothioic S-acid
| Molecular Formula | C19H15N3O3S |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 5.4671 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.0834 |
| Heavy Atoms | 26 |
| Complexity | 944.003 |
Chemical Identifiers
| CAS Number | 83538-74-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=CC(=C2)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)S |
Product Overview
Phenithionate (CAS 83538-74-3), with molecular formula C19H15N3O3S and molecular weight 365.08 g/mol. IUPAC: [4-(4-nitroanilino)-2-phenylphenyl]carbamothioic S-acid.
Chemical Property Profile of Phenithionate
Property Insights of Phenithionate
The XLogP value of 5.4671 indicates that Phenithionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenithionate. Following Lipinski's Rule of Five, Phenithionate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenithionate?
The CAS number of Phenithionate is 83538-74-3.
What is the molecular formula of Phenithionate?
The molecular formula of Phenithionate is C19H15N3O3S.
What is the molecular weight of Phenithionate?
The molecular weight of Phenithionate is 365.08 g/mol.
Where can I buy Phenithionate?
You can request a quote for Phenithionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenithionate?
Yes, KEHONG BIO provides custom synthesis services for Phenithionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.